3-(cyclopentylmethylamino)azepan-2-one

C12H22N2O — CID 43317226

IUPAC3-(cyclopentylmethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCC1CCCC1
InChIInChI=1S/C12H22N2O/c15-12-11(7-3-4-8-13-12)14-9-10-5-1-2-6-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyMZTZGZLWNOHBAR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds3

About 3-(cyclopentylmethylamino)azepan-2-one

3-(cyclopentylmethylamino)azepan-2-one (PubChem CID 43317226) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)azepan-2-one.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)azepan-2-one
PubChem CID43317226
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(cyclopentylmethylamino)azepan-2-one
SMILESO=C1NCCCCC1NCC1CCCC1
InChIInChI=1S/C12H22N2O/c15-12-11(7-3-4-8-13-12)14-9-10-5-1-2-6-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyMZTZGZLWNOHBAR-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylmethylamino)azepan-2-one
CID 43275345
3-[(2-methylcyclohexyl)methylamino]azepan-2-one
CID 55013270
3-(cyclopentyloxyamino)azepan-2-one
CID 83229807
3-(2-ethylbutylamino)azepan-2-one
CID 43688006
1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide
CID 127491612
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-(cyclopentylmethylamino)azepan-2-one?
The IUPAC name of 3-(cyclopentylmethylamino)azepan-2-one (CID 43317226) is 3-(cyclopentylmethylamino)azepan-2-one.
What is the SMILES notation for 3-(cyclopentylmethylamino)azepan-2-one?
The canonical SMILES for 3-(cyclopentylmethylamino)azepan-2-one is O=C1NCCCCC1NCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)azepan-2-one?
The InChIKey is MZTZGZLWNOHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12-11(7-3-4-8-13-12)14-9-10-5-1-2-6-10/h10-11,14H,1-9H2,(H,13,15).
What are the key properties of 3-(cyclopentylmethylamino)azepan-2-one?
3-(cyclopentylmethylamino)azepan-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)azepan-2-one is sourced from PubChem (CID 43317226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).