205131
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    2.5896    1.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2839    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7839    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4178   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4178   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2190    0.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8903    0.6017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648    2.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593    1.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9029    2.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1987    2.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    2.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    0.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239   -0.1259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6868   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186    1.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6868   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
205131

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
153

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAAABAAAAHAAQAAAADgDBGAQwAIBAAACAAiBCAAACAAAgAAAIiIAAAIgIICKAkRGAIAAggAAIiAcQgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1-phenylcyclopentyl)methanamine

> <PUBCHEM_IUPAC_CAS_NAME>
(1-phenylcyclopentyl)methanamine

> <PUBCHEM_IUPAC_NAME>
(1-phenylcyclopentyl)methanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1-phenylcyclopentyl)methanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-phenylcyclopentyl)methylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2

> <PUBCHEM_IUPAC_INCHIKEY>
SJWOFBVBNFLWLP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
175.1361

> <PUBCHEM_MOLECULAR_FORMULA>
C12H17N

> <PUBCHEM_MOLECULAR_WEIGHT>
175.27008

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)(CN)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)(CN)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
175.1361

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
8  10  8
8  9  8
9  11  8

$$$$