N-(2-ethylcyclohexyl)azepan-4-amine

C14H28N2 — CID 103981213

IUPACN-(2-ethylcyclohexyl)azepan-4-amine
SMILESCCC1CCCCC1NC1CCCNCC1
InChIInChI=1S/C14H28N2/c1-2-12-6-3-4-8-14(12)16-13-7-5-10-15-11-9-13/h12-16H,2-11H2,1H3
InChIKeyGXEDIESXOQSYQT-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.69
Rot. Bonds3

About N-(2-ethylcyclohexyl)azepan-4-amine

N-(2-ethylcyclohexyl)azepan-4-amine (PubChem CID 103981213) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)azepan-4-amine
PubChem CID103981213
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2-ethylcyclohexyl)azepan-4-amine
SMILESCCC1CCCCC1NC1CCCNCC1
InChIInChI=1S/C14H28N2/c1-2-12-6-3-4-8-14(12)16-13-7-5-10-15-11-9-13/h12-16H,2-11H2,1H3
InChIKeyGXEDIESXOQSYQT-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)azepan-4-amine?
The IUPAC name of N-(2-ethylcyclohexyl)azepan-4-amine (CID 103981213) is N-(2-ethylcyclohexyl)azepan-4-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)azepan-4-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)azepan-4-amine is CCC1CCCCC1NC1CCCNCC1.
What is the InChIKey of N-(2-ethylcyclohexyl)azepan-4-amine?
The InChIKey is GXEDIESXOQSYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-12-6-3-4-8-14(12)16-13-7-5-10-15-11-9-13/h12-16H,2-11H2,1H3.
What are the key properties of N-(2-ethylcyclohexyl)azepan-4-amine?
N-(2-ethylcyclohexyl)azepan-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)azepan-4-amine is sourced from PubChem (CID 103981213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).