3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one

C14H26N2O — CID 64734523

IUPAC3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
SMILESCC1CCC(NC2CCCCNC2=O)CC1C
InChIInChI=1S/C14H26N2O/c1-10-6-7-12(9-11(10)2)16-13-5-3-4-8-15-14(13)17/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyFAKZUNHIMULTCP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds2

About 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one

3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one (PubChem CID 64734523) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
PubChem CID64734523
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
SMILESCC1CCC(NC2CCCCNC2=O)CC1C
InChIInChI=1S/C14H26N2O/c1-10-6-7-12(9-11(10)2)16-13-5-3-4-8-15-14(13)17/h10-13,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyFAKZUNHIMULTCP-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 3-[(3,4-dimethylcyclohexyl)amino]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

(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-[(3-methoxycyclohexyl)amino]azepan-2-one
CID 113285842
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
CID 62092650
(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
CID 30982772
(3S)-3-[[(1R,2R)-2,4,4-trimethylcyclopentyl]amino]azepan-2-one
CID 124829255
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
3-(oxepan-4-ylamino)azepan-2-one
CID 65081835
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
3-[(2-cyclohexylcyclopropyl)amino]azepan-2-one
CID 141374332

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one (CID 64734523) is 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one is CC1CCC(NC2CCCCNC2=O)CC1C.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one?
The InChIKey is FAKZUNHIMULTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-6-7-12(9-11(10)2)16-13-5-3-4-8-15-14(13)17/h10-13,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one?
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one is sourced from PubChem (CID 64734523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).