3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one

C14H25FN2O — CID 126856260

IUPAC3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one
SMILESCN(CC1(F)CCCCC1)C1CCCCNC1=O
InChIInChI=1S/C14H25FN2O/c1-17(11-14(15)8-4-2-5-9-14)12-7-3-6-10-16-13(12)18/h12H,2-11H2,1H3,(H,16,18)
InChIKeyDFLIPJAIECBKGW-UHFFFAOYSA-N
MW256.36 g/mol
LogP2.26
Rot. Bonds3

About 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one

3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one (PubChem CID 126856260) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one.

Molecular Properties

Compound Name3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one
PubChem CID126856260
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one
SMILESCN(CC1(F)CCCCC1)C1CCCCNC1=O
InChIInChI=1S/C14H25FN2O/c1-17(11-14(15)8-4-2-5-9-14)12-7-3-6-10-16-13(12)18/h12H,2-11H2,1H3,(H,16,18)
InChIKeyDFLIPJAIECBKGW-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1-fluorocyclohexyl)methyl-methylamino]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

3-[2-iodoethyl(methyl)amino]azepan-2-one
CID 131019285
3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one
CID 106635412
3-[3-hydroxybutyl(methyl)amino]azepan-2-one
CID 115773325
3-[(2-hydroxy-3-methoxypropyl)-methylamino]azepan-2-one
CID 62013989
N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
CID 166196584
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]azepan-2-one
CID 79120079
1-methyl-1-(2-oxopiperidin-3-yl)urea
CID 130678600
2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 100655756
3-[bis(2-hydroxyethyl)amino]azepan-2-one
CID 62021702
3-[[methyl-(2-oxoazepan-3-yl)amino]methyl]benzonitrile
CID 55153048
3-[2-aminoethyl(ethyl)amino]azepan-2-one
CID 61350282
3-[ethyl(2-hydroxyethyl)amino]azepan-2-one
CID 62021591

Frequently Asked Questions

What is the IUPAC name of 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one?
The IUPAC name of 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one (CID 126856260) is 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one.
What is the SMILES notation for 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one?
The canonical SMILES for 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one is CN(CC1(F)CCCCC1)C1CCCCNC1=O.
What is the InChIKey of 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one?
The InChIKey is DFLIPJAIECBKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-17(11-14(15)8-4-2-5-9-14)12-7-3-6-10-16-13(12)18/h12H,2-11H2,1H3,(H,16,18).
What are the key properties of 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one?
3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one has a molecular weight of 256.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-fluorocyclohexyl)methyl-methylamino]azepan-2-one is sourced from PubChem (CID 126856260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).