70492372
  -OEChem-04252409372D

 34 35  0     0  0  0  0  0  0999 V2000
    4.0898   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406   -2.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    0.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    1.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    2.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    2.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0622   -1.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5673   -1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -2.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8226   -0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3626   -0.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702   -0.2486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -0.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131    0.9289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    0.9289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131    1.6080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    2.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    1.6080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440    2.7856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    3.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    3.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702    2.7856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492   -1.7638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720   -3.0784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252   -0.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2940   -0.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4199    0.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  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  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70492372

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
162

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAYAAABgAAAHAAAAAAACCjBAwQvkBcMEACgABInZAAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-cyclooctyl-2-methyl-imidazole

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclooctyl-2-methylimidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-cyclooctyl-2-methylimidazole

> <PUBCHEM_IUPAC_NAME>
1-cyclooctyl-2-methylimidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-cyclooctyl-2-methyl-imidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-cyclooctyl-2-methyl-imidazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H20N2/c1-11-13-9-10-14(11)12-7-5-3-2-4-6-8-12/h9-10,12H,2-8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FCIHHCLJJBGLQB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
192.162648646

> <PUBCHEM_MOLECULAR_FORMULA>
C12H20N2

> <PUBCHEM_MOLECULAR_WEIGHT>
192.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=CN1C2CCCCCCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=CN1C2CCCCCCC2

> <PUBCHEM_CACTVS_TPSA>
17.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
192.162648646

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
1  11  8
1  12  8
12  13  8
2  11  8
2  13  8

$$$$