5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one

C18H34N2O — CID 45228194

IUPAC5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one
SMILESCC(C)CCCN1CCC(NC2CCCCC2)CCC1=O
InChIInChI=1S/C18H34N2O/c1-15(2)7-6-13-20-14-12-17(10-11-18(20)21)19-16-8-4-3-5-9-16/h15-17,19H,3-14H2,1-2H3
InChIKeyLFIGHUNRYNUIHJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.73
Rot. Bonds6

About 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one

5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one (PubChem CID 45228194) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one.

Molecular Properties

Compound Name5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one
PubChem CID45228194
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one
SMILESCC(C)CCCN1CCC(NC2CCCCC2)CCC1=O
InChIInChI=1S/C18H34N2O/c1-15(2)7-6-13-20-14-12-17(10-11-18(20)21)19-16-8-4-3-5-9-16/h15-17,19H,3-14H2,1-2H3
InChIKeyLFIGHUNRYNUIHJ-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclobutylamino)-1-methylpiperidin-2-one
CID 64655743
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
1-methyl-5-(4-methylpentylamino)piperidin-2-one
CID 83155530
1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one
CID 167356479
N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45200305
1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
CID 106708421
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
CID 106137685
3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970548
(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 29151861
1-(5-hydroxy-4-methylpentyl)piperidin-2-one
CID 106159311
1-butyl-5-propan-2-ylpiperidin-2-one
CID 139951242

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one?
The IUPAC name of 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one (CID 45228194) is 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one.
What is the SMILES notation for 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one?
The canonical SMILES for 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one is CC(C)CCCN1CCC(NC2CCCCC2)CCC1=O.
What is the InChIKey of 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one?
The InChIKey is LFIGHUNRYNUIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(2)7-6-13-20-14-12-17(10-11-18(20)21)19-16-8-4-3-5-9-16/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one?
5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one has a molecular weight of 294.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-1-(4-methylpentyl)azepan-2-one is sourced from PubChem (CID 45228194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).