3-(cyclobutylmethylamino)azepan-2-one

C11H20N2O — CID 43275345

IUPAC3-(cyclobutylmethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCC1CCC1
InChIInChI=1S/C11H20N2O/c14-11-10(6-1-2-7-12-11)13-8-9-4-3-5-9/h9-10,13H,1-8H2,(H,12,14)
InChIKeyQOMDQHINRQCSGK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.04
Rot. Bonds3

About 3-(cyclobutylmethylamino)azepan-2-one

3-(cyclobutylmethylamino)azepan-2-one (PubChem CID 43275345) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)azepan-2-one.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)azepan-2-one
PubChem CID43275345
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(cyclobutylmethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCC1CCC1
InChIInChI=1S/C11H20N2O/c14-11-10(6-1-2-7-12-11)13-8-9-4-3-5-9/h9-10,13H,1-8H2,(H,12,14)
InChIKeyQOMDQHINRQCSGK-UHFFFAOYSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(cyclobutylmethylamino)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-[(2-methylcyclohexyl)methylamino]azepan-2-one
CID 55013270
3-(cyclopentyloxyamino)azepan-2-one
CID 83229807
1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide
CID 127491612
3-(2-ethylbutylamino)azepan-2-one
CID 43688006
3-[(3-methyl-2-propan-2-ylbutyl)amino]azepan-2-one
CID 102905290
3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one
CID 82836369
3-(3-ethoxypropylamino)azepan-2-one
CID 43199290
3-(cyclooctylmethylamino)piperidine-2,6-dione
CID 114207756
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[(1-cyclopropylcyclopropyl)methylamino]azepan-2-one
CID 103841206
3-[2-(1-methylpiperidin-4-yl)ethylamino]azepan-2-one
CID 114515595

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)azepan-2-one?
The IUPAC name of 3-(cyclobutylmethylamino)azepan-2-one (CID 43275345) is 3-(cyclobutylmethylamino)azepan-2-one.
What is the SMILES notation for 3-(cyclobutylmethylamino)azepan-2-one?
The canonical SMILES for 3-(cyclobutylmethylamino)azepan-2-one is O=C1NCCCCC1NCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylamino)azepan-2-one?
The InChIKey is QOMDQHINRQCSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-11-10(6-1-2-7-12-11)13-8-9-4-3-5-9/h9-10,13H,1-8H2,(H,12,14).
What are the key properties of 3-(cyclobutylmethylamino)azepan-2-one?
3-(cyclobutylmethylamino)azepan-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)azepan-2-one is sourced from PubChem (CID 43275345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).