2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one

C14H25NO — CID 63624486

IUPAC2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCCN(CC2CCCCC2=O)CC1
InChIInChI=1S/C14H25NO/c1-12-5-4-9-15(10-8-12)11-13-6-2-3-7-14(13)16/h12-13H,2-11H2,1H3
InChIKeyVSXMXOWLYMCJSD-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one

2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one (PubChem CID 63624486) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
PubChem CID63624486
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCCN(CC2CCCCC2=O)CC1
InChIInChI=1S/C14H25NO/c1-12-5-4-9-15(10-8-12)11-13-6-2-3-7-14(13)16/h12-13H,2-11H2,1H3
InChIKeyVSXMXOWLYMCJSD-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-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

Pimeclone
CID 197861
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
CID 359482
2,6-Bis((dimethylamino)methyl)cyclohexanone
CID 358900
2-((Dimethylamino)methyl)cyclohexanone
CID 85838
N,N,N-trimethyl(2-oxocyclohexyl)methanaminium
CID 359484
3-[(Dimethylamino)methyl]heptan-2-one
CID 85902549
2-(Pyrrolidin-1-ylmethyl)cyclohexanone
CID 375936
2-[(Diethylamino)methyl]cyclohexanone
CID 415449
2-((Dimethylamino)methyl)-6-methylcyclohexanone
CID 12927832
((2-Oxocyclohexyl)methyl)trimethylammonium iodide
CID 359483
Trimethyl-[[2-oxo-3-[(trimethylammonio)methyl]cyclohexyl]methyl]ammonium;iodide
CID 360570
cis-(2S,6R)-2,6-bis[(dimethylamino)methyl]cyclohexan-1-one
CID 853621

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one (CID 63624486) is 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one is CC1CCCN(CC2CCCCC2=O)CC1.
What is the InChIKey of 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one?
The InChIKey is VSXMXOWLYMCJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-5-4-9-15(10-8-12)11-13-6-2-3-7-14(13)16/h12-13H,2-11H2,1H3.
What are the key properties of 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one?
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 63624486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).