637986
  -OEChem-05181313112D

 24 25  0     1  0  0  0  0  0999 V2000
    4.1260    1.1628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482   -0.7857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3894    0.1802    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8163   -1.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -0.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1834   -2.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9924   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0969   -1.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    2.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682   -1.6067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694    1.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283   -2.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9662   -0.7650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454    0.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211   -2.5488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7226   -2.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0947   -0.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121   -0.6465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   -1.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2885   -2.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891    2.3389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9360    2.5658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    1.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  1  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  6  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
637986

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
99.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAABgAAAAAAAAAAHAAAAAAACCjBAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAIAgAAEAAAAAACAAAEQgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_NAME>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+

> <PUBCHEM_IUPAC_INCHIKEY>
XLRPYZSEQKXZAA-OCAPTIKFSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
125.120449

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15N

> <PUBCHEM_MOLECULAR_WEIGHT>
125.2114

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2CCCC1CC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1[C@@H]2CCC[C@H]1CC2

> <PUBCHEM_CACTVS_TPSA>
3.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
125.120449

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
2  10  5
3  11  6

$$$$