2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine

C18H38N2 — CID 63466038

IUPAC2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCCCN(CC)C1CC(C(C)(C)CC)CCC1NC
InChIInChI=1S/C18H38N2/c1-7-10-13-20(9-3)17-14-15(18(4,5)8-2)11-12-16(17)19-6/h15-17,19H,7-14H2,1-6H3
InChIKeyVGTXBQBGVNQGIQ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds8

About 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine

2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine (PubChem CID 63466038) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
PubChem CID63466038
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCCCN(CC)C1CC(C(C)(C)CC)CCC1NC
InChIInChI=1S/C18H38N2/c1-7-10-13-20(9-3)17-14-15(18(4,5)8-2)11-12-16(17)19-6/h15-17,19H,7-14H2,1-6H3
InChIKeyVGTXBQBGVNQGIQ-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63956178
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083
[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 64814908
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
4-tert-butyl-2-N-cyclohexyl-2-N-ethyl-1-N-methylcyclohexane-1,2-diamine
CID 63464756
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine (CID 63466038) is 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine is CCCCN(CC)C1CC(C(C)(C)CC)CCC1NC.
What is the InChIKey of 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is VGTXBQBGVNQGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-10-13-20(9-3)17-14-15(18(4,5)8-2)11-12-16(17)19-6/h15-17,19H,7-14H2,1-6H3.
What are the key properties of 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine?
2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63466038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).