Azepan-1-yl(cyclohexyl)methanone

Name: Azepan-1-yl(cyclohexyl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₃NO — CID 3052161

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACazepan-1-yl(cyclohexyl)methanone

SMILESO=C(C1CCCCC1)N1CCCCCC1

InChIInChI=1S/C13H23NO/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-14/h12H,1-11H2

InChIKeyUATTZKYRVHOFRE-UHFFFAOYSA-N

MW209.33 g/mol

LogP2.97

Rot. Bonds1

About Azepan-1-yl(cyclohexyl)methanone

Azepan-1-yl(cyclohexyl)methanone (PubChem CID 3052161) has the molecular formula C₁₃H₂₃NO and a molecular weight of 209.33 g/mol. Its IUPAC name is azepan-1-yl(cyclohexyl)methanone.

Molecular Properties

Compound Name	Azepan-1-yl(cyclohexyl)methanone
PubChem CID	3052161
Molecular Formula	C₁₃H₂₃NO
Molecular Weight	209.33 g/mol
Exact Mass	209.18
IUPAC Name	azepan-1-yl(cyclohexyl)methanone
SMILES	O=C(C1CCCCC1)N1CCCCCC1
InChI	InChI=1S/C13H23NO/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-14/h12H,1-11H2
InChIKey	UATTZKYRVHOFRE-UHFFFAOYSA-N
XLogP	2.97
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.33
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Azepan-1-yl(cyclohexyl)methanone?

The IUPAC name of Azepan-1-yl(cyclohexyl)methanone (CID 3052161) is azepan-1-yl(cyclohexyl)methanone.

What is the SMILES notation for Azepan-1-yl(cyclohexyl)methanone?

The canonical SMILES for Azepan-1-yl(cyclohexyl)methanone is O=C(C1CCCCC1)N1CCCCCC1.

What is the InChIKey of Azepan-1-yl(cyclohexyl)methanone?

The InChIKey is UATTZKYRVHOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-14/h12H,1-11H2.

What are the key properties of Azepan-1-yl(cyclohexyl)methanone?

Azepan-1-yl(cyclohexyl)methanone has a molecular weight of 209.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Azepan-1-yl(cyclohexyl)methanone is sourced from PubChem (CID 3052161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 3052161 — identifiers, structure, computed properties (public domain)

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