3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one

C15H26N2O — CID 141374332

IUPAC3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one
SMILESO=C1NCCCCC1NC1CC1C1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15-13(8-4-5-9-16-15)17-14-10-12(14)11-6-2-1-3-7-11/h11-14,17H,1-10H2,(H,16,18)
InChIKeyQJHOCKUNNFWEPS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.21
Rot. Bonds3

About 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one

3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one (PubChem CID 141374332) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one
PubChem CID141374332
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one
SMILESO=C1NCCCCC1NC1CC1C1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15-13(8-4-5-9-16-15)17-14-10-12(14)11-6-2-1-3-7-11/h11-14,17H,1-10H2,(H,16,18)
InChIKeyQJHOCKUNNFWEPS-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one?
The IUPAC name of 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one (CID 141374332) is 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one.
What is the SMILES notation for 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one?
The canonical SMILES for 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one is O=C1NCCCCC1NC1CC1C1CCCCC1.
What is the InChIKey of 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one?
The InChIKey is QJHOCKUNNFWEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15-13(8-4-5-9-16-15)17-14-10-12(14)11-6-2-1-3-7-11/h11-14,17H,1-10H2,(H,16,18).
What are the key properties of 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one?
3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one is sourced from PubChem (CID 141374332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).