1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine

C17H36N2 — CID 79476839

IUPAC1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(CC)CC1N(CC)CC(C)CC
InChIInChI=1S/C17H36N2/c1-6-14(5)13-19(9-4)17-12-15(7-2)10-11-16(17)18-8-3/h14-18H,6-13H2,1-5H3
InChIKeyUDDUKIOQLJNQBP-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine

1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine (PubChem CID 79476839) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
PubChem CID79476839
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(CC)CC1N(CC)CC(C)CC
InChIInChI=1S/C17H36N2/c1-6-14(5)13-19(9-4)17-12-15(7-2)10-11-16(17)18-8-3/h14-18H,6-13H2,1-5H3
InChIKeyUDDUKIOQLJNQBP-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,4-diethyl-2-N-(2-ethylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63468498
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63493475
1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083
1-N,4-diethyl-2-N-methyl-2-N-(4-methylcyclohexyl)cyclohexane-1,2-diamine
CID 63468495
4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 63467792
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959
N,4-diethyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 63493739
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
CID 63697377
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79478118

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine (CID 79476839) is 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine is CCNC1CCC(CC)CC1N(CC)CC(C)CC.
What is the InChIKey of 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
The InChIKey is UDDUKIOQLJNQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-14(5)13-19(9-4)17-12-15(7-2)10-11-16(17)18-8-3/h14-18H,6-13H2,1-5H3.
What are the key properties of 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine?
1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79476839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).