2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine

C18H36N2 — CID 79052643

IUPAC2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine
SMILESCCC1CCC(C(N)C(C)(C)N2CCCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-4-15-9-11-16(12-10-15)17(19)18(2,3)20-13-7-5-6-8-14-20/h15-17H,4-14,19H2,1-3H3
InChIKeyITPXYDLNNILAAC-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.18
Rot. Bonds4

About 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine

2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine (PubChem CID 79052643) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine
PubChem CID79052643
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine
SMILESCCC1CCC(C(N)C(C)(C)N2CCCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-4-15-9-11-16(12-10-15)17(19)18(2,3)20-13-7-5-6-8-14-20/h15-17H,4-14,19H2,1-3H3
InChIKeyITPXYDLNNILAAC-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 82932107
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
CID 79045089
2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79065521
1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060660
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79055721
1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
(1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-yl)hydrazine
CID 105239761
1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045000
2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
CID 79052130
1-(3-ethylcyclopentyl)-2,2-dimethylpropan-1-amine
CID 65411012
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine (CID 79052643) is 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine is CCC1CCC(C(N)C(C)(C)N2CCCCCC2)CC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine?
The InChIKey is ITPXYDLNNILAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-15-9-11-16(12-10-15)17(19)18(2,3)20-13-7-5-6-8-14-20/h15-17H,4-14,19H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine?
2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79052643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).