3-[(2-methylcyclohexyl)methylamino]azepan-2-one

C14H26N2O — CID 55013270

IUPAC3-[(2-methylcyclohexyl)methylamino]azepan-2-one
SMILESCC1CCCCC1CNC1CCCCNC1=O
InChIInChI=1S/C14H26N2O/c1-11-6-2-3-7-12(11)10-16-13-8-4-5-9-15-14(13)17/h11-13,16H,2-10H2,1H3,(H,15,17)
InChIKeyOQACUQLEVRDYJN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds3

About 3-[(2-methylcyclohexyl)methylamino]azepan-2-one

3-[(2-methylcyclohexyl)methylamino]azepan-2-one (PubChem CID 55013270) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methylamino]azepan-2-one.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methylamino]azepan-2-one
PubChem CID55013270
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[(2-methylcyclohexyl)methylamino]azepan-2-one
SMILESCC1CCCCC1CNC1CCCCNC1=O
InChIInChI=1S/C14H26N2O/c1-11-6-2-3-7-12(11)10-16-13-8-4-5-9-15-14(13)17/h11-13,16H,2-10H2,1H3,(H,15,17)
InChIKeyOQACUQLEVRDYJN-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylcyclopentyl)methylamino]pyrrolidin-2-one
CID 130734571
3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-(cyclobutylmethylamino)azepan-2-one
CID 43275345
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-[(2-ethyl-2-hydroxybutyl)amino]azepan-2-one
CID 65111880
3-(3-ethoxypropylamino)azepan-2-one
CID 43199290
3-(2,2-dimethylhydrazinyl)azepan-2-one
CID 83014560
3-[(4-hydroxy-2,2-dimethylbutyl)amino]azepan-2-one
CID 106146876
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[(1-cyclopropylcyclopropyl)methylamino]azepan-2-one
CID 103841206

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methylamino]azepan-2-one?
The IUPAC name of 3-[(2-methylcyclohexyl)methylamino]azepan-2-one (CID 55013270) is 3-[(2-methylcyclohexyl)methylamino]azepan-2-one.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methylamino]azepan-2-one?
The canonical SMILES for 3-[(2-methylcyclohexyl)methylamino]azepan-2-one is CC1CCCCC1CNC1CCCCNC1=O.
What is the InChIKey of 3-[(2-methylcyclohexyl)methylamino]azepan-2-one?
The InChIKey is OQACUQLEVRDYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-2-3-7-12(11)10-16-13-8-4-5-9-15-14(13)17/h11-13,16H,2-10H2,1H3,(H,15,17).
What are the key properties of 3-[(2-methylcyclohexyl)methylamino]azepan-2-one?
3-[(2-methylcyclohexyl)methylamino]azepan-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methylamino]azepan-2-one is sourced from PubChem (CID 55013270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).