2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

C18H36N2 — CID 65282251

IUPAC2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCCC(C)(C)CC1
InChIInChI=1S/C18H36N2/c1-5-19-17-8-7-15(2)13-16(17)14-20-11-6-9-18(3,4)10-12-20/h15-17,19H,5-14H2,1-4H3
InChIKeyGFCWUUFARVVLDQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds4

About 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 65282251) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID65282251
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCCC(C)(C)CC1
InChIInChI=1S/C18H36N2/c1-5-19-17-8-7-15(2)13-16(17)14-20-11-6-9-18(3,4)10-12-20/h15-17,19H,5-14H2,1-4H3
InChIKeyGFCWUUFARVVLDQ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 65282251) is 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1CN1CCCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is GFCWUUFARVVLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-19-17-8-7-15(2)13-16(17)14-20-11-6-9-18(3,4)10-12-20/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65282251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).