6101956
  -OEChem-09302101212D

 25 26  0     1  0  0  0  0  0999 V2000
    2.1077   -1.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6196    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3562    0.1882    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0974   -0.7777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7552   -0.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4963   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8764   -1.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -1.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196    2.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5762    1.0092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774   -1.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491   -0.4984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    0.2679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3014   -1.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903   -1.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    0.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087   -0.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4706   -2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -2.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939   -0.6614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6566    2.3468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8096    2.5738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.7268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  1  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  1  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6101956

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
123

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAABgAAAAAAAAAAHgAACAAACDzhgAYCAAMAAgAAAAAAAAAAAAAAAAAAAAAIAAAAEAIAgAAEQAAGAACAAAGQwCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,5<I>R</I>)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_NAME>
(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CYHOMWAPJJPNMW-RNFRBKRXSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
141.115364102

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15NO

> <PUBCHEM_MOLECULAR_WEIGHT>
141.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2CCC1CC(C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1[C@@H]2CC[C@@H]1CC(C2)O

> <PUBCHEM_CACTVS_TPSA>
23.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
141.115364102

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
3  11  5
4  12  5

$$$$
