2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine

C19H40N2 — CID 107869702

IUPAC2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(CCC(C)C)CCC(C)C)CCCC1(C)C
InChIInChI=1S/C19H40N2/c1-15(2)10-13-21(14-11-16(3)4)17-9-8-12-19(5,6)18(17)20-7/h15-18,20H,8-14H2,1-7H3
InChIKeyKHMOPSCYIBBGPT-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds8

About 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine

2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine (PubChem CID 107869702) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
PubChem CID107869702
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(CCC(C)C)CCC(C)C)CCCC1(C)C
InChIInChI=1S/C19H40N2/c1-15(2)10-13-21(14-11-16(3)4)17-9-8-12-19(5,6)18(17)20-7/h15-18,20H,8-14H2,1-7H3
InChIKeyKHMOPSCYIBBGPT-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
1-(3,3-Dimethylcyclohexyl)piperazine
CID 64467057
3-(2,2-dimethylpropyl)-3-ethyl-1-N-(4-fluoro-3-methylcyclohexyl)-1-N-hexyl-2-N,5,5-trimethylhexane-1,2-diamine
CID 134286891
4,4-dimethyl-1-N,2-N-dipropyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 64417522
4,4-dimethyl-2-N-propan-2-yl-1-N-propyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 64417917
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828362
2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine
CID 79828387
1-N,3,3-trimethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828428
2-N-ethyl-3,3-dimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828448
1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79828593

Frequently Asked Questions

What is the IUPAC name of 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine (CID 107869702) is 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine is CNC1C(N(CCC(C)C)CCC(C)C)CCCC1(C)C.
What is the InChIKey of 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine?
The InChIKey is KHMOPSCYIBBGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-15(2)10-13-21(14-11-16(3)4)17-9-8-12-19(5,6)18(17)20-7/h15-18,20H,8-14H2,1-7H3.
What are the key properties of 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine?
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 107869702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).