Synonyms
X6097; CTK5E3358; 767291-67-8; MFCD11869717; (1S,2S)-N1,N2-Bis(3,3-dimethyl butyl)-N1,N2-dimethyl-1,2-diaminocyclohexane; AKOS015841829; ZINC44075626; KS-0000149B; TR-037745; (1S,2S)-N,N'-Dimethyl-N,N'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine;
IUPAC Name
(1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine;
Molecular Weight
310.57g/mol
Molecular Formula
C20H42N2;
Canonical SMILES
CC(C)(C)CCN(C)C1CCCCC1N(C)CCC(C)(C)C;
InChI
InChI=1S/C20H42N2/c1-19(2,3)13-15-21(7)17-11-9-10-12-18(17)22(8)16-14-20(4,5)6/h17-18H,9-16H2,1-8H3/t17-,18-/m0/s1;
InChI Key
VGCWVKVNKNXOGZ-ROUUACIJSA-N;
Storage
Room temperature.
Complexity
279
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
310.335g/mol
H-Bond Acceptor
2
Heavy Atom Count
22
Monoisotopic Mass
310.335g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
6.5A^2
