54239100
  -OEChem-05122422572D

 37 38  0     0  0  0  0  0  0999 V2000
    5.3660    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.8660    0.0000 C   2  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8660    0.0000 C   2  0  0  0  0  0  0  0  0  0  0  0
    6.7320    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9441    0.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3426    1.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3894    1.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    0.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3426    2.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9441    2.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    2.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3894    2.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2646    3.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4675    3.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  2  0  0  0  0
  2  4  1  0  0  0  0
  2 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  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
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
M  ISO  2   3  14   4  14
M  END
> <PUBCHEM_COMPOUND_CID>
54239100

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
201

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAAAAAAAHAAAAAAACCjBAAQBAAIAAAAgAAAAJAAAAAAAAAAAAAAAAAAAAAIAgAAAAAAAAAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N'-di(cyclohexyl)methanediimine

> <PUBCHEM_IUPAC_CAS_NAME>
N,N'-di(cyclohexyl)methanediimine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>&apos;-di(cyclohexyl)methanediimine

> <PUBCHEM_IUPAC_NAME>
N,N'-di(cyclohexyl)methanediimine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N'-di(cyclohexyl)methanediimine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexyl(cyclohexyliminomethylene)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2/i12+2,13+2

> <PUBCHEM_IUPAC_INCHIKEY>
QOSSAOTZNIDXMA-SURNXMRXSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
210.18478269

> <PUBCHEM_MOLECULAR_FORMULA>
C13H22N2

> <PUBCHEM_MOLECULAR_WEIGHT>
210.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)N=C=NC2CCCCC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC[14CH](CC1)N=C=N[14CH]2CCCCC2

> <PUBCHEM_CACTVS_TPSA>
24.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.18478269

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
2

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$