4-[(1-methylcyclopentyl)amino]azepan-2-one

C12H22N2O — CID 63905240

IUPAC4-[(1-methylcyclopentyl)amino]azepan-2-one
SMILESCC1(NC2CCCNC(=O)C2)CCCC1
InChIInChI=1S/C12H22N2O/c1-12(6-2-3-7-12)14-10-5-4-8-13-11(15)9-10/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyFKKRKUBKJSCWFQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds2

About 4-[(1-methylcyclopentyl)amino]azepan-2-one

4-[(1-methylcyclopentyl)amino]azepan-2-one (PubChem CID 63905240) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(1-methylcyclopentyl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[(1-methylcyclopentyl)amino]azepan-2-one
PubChem CID63905240
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(1-methylcyclopentyl)amino]azepan-2-one
SMILESCC1(NC2CCCNC(=O)C2)CCCC1
InChIInChI=1S/C12H22N2O/c1-12(6-2-3-7-12)14-10-5-4-8-13-11(15)9-10/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyFKKRKUBKJSCWFQ-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methylpyrrolidin-3-yl)amino]azepan-2-one
CID 107423733
4-[(1-methylcyclopentyl)methylamino]azepan-2-one
CID 63889274
4-[[1-(hydroxymethyl)cyclohexyl]amino]azepan-2-one
CID 63889069
3,5,7-trimethyl-N-[(4S)-2-oxoazepan-4-yl]adamantane-1-carboxamide
CID 68593909
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]azepan-2-one
CID 115454770
4-(2-aminoethylamino)azepan-2-one
CID 63887291
4-[(4-hydroxycyclohexyl)amino]azepan-2-one
CID 63889088
4-(2,3,4,5,6-pentafluoroanilino)azepan-2-one
CID 115564263
4-(cyclopentylmethylamino)azepan-2-one
CID 63905028
(4R)-4-methylazepan-2-one
CID 12689799
4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
CID 63887519
4-(2-methylpentan-3-ylamino)azepan-2-one
CID 63902955

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopentyl)amino]azepan-2-one?
The IUPAC name of 4-[(1-methylcyclopentyl)amino]azepan-2-one (CID 63905240) is 4-[(1-methylcyclopentyl)amino]azepan-2-one.
What is the SMILES notation for 4-[(1-methylcyclopentyl)amino]azepan-2-one?
The canonical SMILES for 4-[(1-methylcyclopentyl)amino]azepan-2-one is CC1(NC2CCCNC(=O)C2)CCCC1.
What is the InChIKey of 4-[(1-methylcyclopentyl)amino]azepan-2-one?
The InChIKey is FKKRKUBKJSCWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(6-2-3-7-12)14-10-5-4-8-13-11(15)9-10/h10,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 4-[(1-methylcyclopentyl)amino]azepan-2-one?
4-[(1-methylcyclopentyl)amino]azepan-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopentyl)amino]azepan-2-one is sourced from PubChem (CID 63905240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).