637986
  -OEChem-04262420042D

 24 25  0     1  0  0  0  0  0999 V2000
    3.8200    0.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422   -0.9745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0833   -0.0085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9432   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632   -1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1166   -0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3922   -1.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5622   -1.7955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8633    0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1382   -2.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -1.6610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895    0.0712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9690   -2.3088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465   -2.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1216    0.3003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7309   -0.2359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671   -1.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6833   -1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830    2.1501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6300    2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8569    1.5301    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_MARKUP>
(1<I>R</I>,5<I>S</I>)-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>
125.120449483

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15N

> <PUBCHEM_MOLECULAR_WEIGHT>
125.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2CCCC1CC2

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

> <PUBCHEM_CACTVS_TPSA>
3.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
125.120449483

> <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

$$$$