data_RM1
# 
_chem_comp.id                                    RM1 
_chem_comp.name                                  "N-METHYL-1(R)-AMINOINDAN" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C10 H13 N" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-11-07 
_chem_comp.pdbx_modified_date                    2011-06-04 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        147.217 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RM1 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2C67 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
RM1 C10  C10  C 0 1 N N N 53.722 149.239 24.667 -2.732 1.563  -0.210 C10  RM1 1  
RM1 N10  N10  N 0 1 N N N 53.672 150.505 25.400 -2.282 0.400  0.567  N10  RM1 2  
RM1 C9   C9   C 0 1 N N R 52.790 151.578 24.950 -1.372 -0.360 -0.299 C9   RM1 3  
RM1 C8   C8   C 0 1 Y N N 52.584 152.665 25.958 0.044  0.158  -0.157 C8   RM1 4  
RM1 C7   C7   C 0 1 Y N N 52.070 152.527 27.189 0.525  1.454  -0.107 C7   RM1 5  
RM1 C6   C6   C 0 1 Y N N 51.925 153.626 27.952 1.880  1.688  0.030  C6   RM1 6  
RM1 C5   C5   C 0 1 Y N N 52.262 154.842 27.485 2.758  0.624  0.121  C5   RM1 7  
RM1 C4   C4   C 0 1 Y N N 52.785 154.966 26.251 2.280  -0.670 0.074  C4   RM1 8  
RM1 C3   C3   C 0 1 Y N N 52.958 153.853 25.514 0.922  -0.907 -0.064 C3   RM1 9  
RM1 C2   C2   C 0 1 N N N 53.560 153.790 24.137 0.157  -2.211 -0.142 C2   RM1 10 
RM1 C1   C1   C 0 1 N N N 53.522 152.293 23.805 -1.311 -1.836 0.150  C1   RM1 11 
RM1 H101 1H10 H 0 0 N N N 54.396 148.420 25.011 -3.245 1.223  -1.109 H101 RM1 12 
RM1 H102 2H10 H 0 0 N N N 53.953 149.460 23.599 -3.414 2.162  0.394  H102 RM1 13 
RM1 H103 3H10 H 0 0 N N N 52.686 148.835 24.592 -1.869 2.167  -0.491 H103 RM1 14 
RM1 H10  H10  H 0 1 N N N 54.620 150.875 25.468 -1.726 0.758  1.329  H10  RM1 15 
RM1 H9   H9   H 0 1 N N N 51.813 151.169 24.602 -1.696 -0.294 -1.338 H9   RM1 16 
RM1 H7   H7   H 0 1 N N N 51.773 151.535 27.568 -0.160 2.285  -0.177 H7   RM1 17 
RM1 H6   H6   H 0 1 N N N 51.524 153.529 28.975 2.252  2.701  0.067  H6   RM1 18 
RM1 H5   H5   H 0 1 N N N 52.110 155.736 28.113 3.817  0.806  0.229  H5   RM1 19 
RM1 H4   H4   H 0 1 N N N 53.065 155.956 25.853 2.967  -1.501 0.145  H4   RM1 20 
RM1 H2C1 1H2C H 0 0 N N N 53.063 154.445 23.383 0.525  -2.911 0.609  H2C1 RM1 21 
RM1 H2C2 2H2C H 0 0 N N N 54.568 154.259 24.050 0.246  -2.643 -1.138 H2C2 RM1 22 
RM1 H1C1 1H1C H 0 0 N N N 53.074 152.082 22.806 -1.530 -1.926 1.214  H1C1 RM1 23 
RM1 H1C2 2H1C H 0 0 N N N 54.533 151.868 23.605 -1.993 -2.449 -0.440 H1C2 RM1 24 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
RM1 C10 N10  SING N N 1  
RM1 C10 H101 SING N N 2  
RM1 C10 H102 SING N N 3  
RM1 C10 H103 SING N N 4  
RM1 N10 C9   SING N N 5  
RM1 N10 H10  SING N N 6  
RM1 C9  C8   SING N N 7  
RM1 C9  C1   SING N N 8  
RM1 C9  H9   SING N N 9  
RM1 C8  C7   DOUB Y N 10 
RM1 C8  C3   SING Y N 11 
RM1 C7  C6   SING Y N 12 
RM1 C7  H7   SING N N 13 
RM1 C6  C5   DOUB Y N 14 
RM1 C6  H6   SING N N 15 
RM1 C5  C4   SING Y N 16 
RM1 C5  H5   SING N N 17 
RM1 C4  C3   DOUB Y N 18 
RM1 C4  H4   SING N N 19 
RM1 C3  C2   SING N N 20 
RM1 C2  C1   SING N N 21 
RM1 C2  H2C1 SING N N 22 
RM1 C2  H2C2 SING N N 23 
RM1 C1  H1C1 SING N N 24 
RM1 C1  H1C2 SING N N 25 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
RM1 SMILES           ACDLabs              10.04 c1cccc2c1CCC2NC                                                                   
RM1 SMILES_CANONICAL CACTVS               3.341 "CN[C@@H]1CCc2ccccc12"                                                            
RM1 SMILES           CACTVS               3.341 "CN[CH]1CCc2ccccc12"                                                              
RM1 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CN[C@@H]1CCc2c1cccc2"                                                            
RM1 SMILES           "OpenEye OEToolkits" 1.5.0 CNC1CCc2c1cccc2                                                                   
RM1 InChI            InChI                1.03  "InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1" 
RM1 InChIKey         InChI                1.03  AIXUYZODYPPNAV-SNVBAGLBSA-N                                                       
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
RM1 "SYSTEMATIC NAME" ACDLabs              10.04 "(1R)-N-methyl-2,3-dihydro-1H-inden-1-amine" 
RM1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(1R)-N-methyl-2,3-dihydro-1H-inden-1-amine" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
RM1 "Create component"  2005-11-07 EBI  
RM1 "Modify descriptor" 2011-06-04 RCSB 
# 
