Mrv1652306031609232D          

 20 20  0  0  0  0            999 V2000
    3.4340    0.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3394    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519    0.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    1.7262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  0  0  0  0
 14  2  1  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 15  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
 17  6  1  0  0  0  0
 17  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 18  9  1  0  0  0  0
 18 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19 10  2  0  0  0  0
 19 13  1  4  0  0  0
 20 11  2  0  0  0  0
 20 16  1  4  0  0  0
M  END
> <DATABASE_ID>
CHEM012763

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C=NCC1(C)CC(CC(C)(C)C1)N=CC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C18H34N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h10-11,14-16H,8-9,12-13H2,1-7H3

> <INCHI_KEY>
JAQIHZHFSKQFEI-UHFFFAOYSA-N

> <FORMULA>
C18H34N2

> <MOLECULAR_WEIGHT>
278.484

> <EXACT_MASS>
278.272199103

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
35.258514291518935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2-methylpropylidene)({1,3,3-trimethyl-5-[(2-methylpropylidene)amino]cyclohexyl}methyl)amine

> <ALOGPS_LOGP>
5.59

> <JCHEM_LOGP>
4.407004351666668

> <ALOGPS_LOGS>
-6.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
8.47185989468055

> <JCHEM_POLAR_SURFACE_AREA>
24.72

> <JCHEM_REFRACTIVITY>
88.322

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.50e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-methylpropylidene)({1,3,3-trimethyl-5-[(2-methylpropylidene)amino]cyclohexyl}methyl)amine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cyclohexanemethanamine, 1,3,3-trimethyl-N-(2-methylpropylidene)-5-[(2-methylpropylidene)amino]-

> <CAS>
54914-37-3

> <SYNONYMS>
1,3,3-trimethyl-N-(2-methylpropylidene)-5-[(2-methylpropylidene)amino]cyclohexanemethylamine

$$$$