6433106
  -OEChem-04192409472D

 35 35  0     0  0  0  0  0  0999 V2000
    4.3660    1.3476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -1.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -1.9934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -1.9934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    0.5641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -0.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -0.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    0.5641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -1.5745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.4214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -2.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.0185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951   -2.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420   -2.4214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690   -1.5745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -1.6385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3520   -1.0185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.6576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    1.8845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    1.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    1.3476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0560    1.8845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  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 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 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
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6433106

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
163

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHAAQAAAADoiBAAACAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAgAAAAAAAEAAAAAEQgEAPAAAAAAAAAAAAAASAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,3,5,5-pentamethylcyclohexanamine

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,3,5,5-pentamethyl-1-cyclohexanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,3,5,5-pentamethylcyclohexan-1-amine

> <PUBCHEM_IUPAC_NAME>
1,3,3,5,5-pentamethylcyclohexan-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,3,5,5-pentamethylcyclohexan-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1,3,3,5,5-pentamethylcyclohexyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
OGZQTTHDGQBLBT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
169.183049738

> <PUBCHEM_MOLECULAR_FORMULA>
C11H23N

> <PUBCHEM_MOLECULAR_WEIGHT>
169.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC(CC(C1)(C)N)(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC(CC(C1)(C)N)(C)C)C

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
169.183049738

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$