2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one

C15H27NO — CID 104691901

IUPAC2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCCCCN1CC1CCCCC1=O
InChIInChI=1S/C15H27NO/c1-2-14-9-4-3-7-11-16(14)12-13-8-5-6-10-15(13)17/h13-14H,2-12H2,1H3
InChIKeyUFIFZHVCJOYWKS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.40
Rot. Bonds3

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

2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one (PubChem CID 104691901) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one
PubChem CID104691901
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCCCCN1CC1CCCCC1=O
InChIInChI=1S/C15H27NO/c1-2-14-9-4-3-7-11-16(14)12-13-8-5-6-10-15(13)17/h13-14H,2-12H2,1H3
InChIKeyUFIFZHVCJOYWKS-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-ethylazepan-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

2-[(2-ethylazepan-1-yl)methyl]-4-methylcyclohexan-1-one
CID 104691871
(2S)-2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-one
CID 124678182
2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 62616856
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 62615106
6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 104691903
2-[(2-ethylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 55106254
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptan-1-one
CID 102728227
2-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 62617026
2-(azetidin-1-ylmethyl)cycloheptan-1-one
CID 130548358
2-[(4-propan-2-ylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 103502471
2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 45097785
2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-one
CID 62613023

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one (CID 104691901) is 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one is CCC1CCCCCN1CC1CCCCC1=O.
What is the InChIKey of 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one?
The InChIKey is UFIFZHVCJOYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-14-9-4-3-7-11-16(14)12-13-8-5-6-10-15(13)17/h13-14H,2-12H2,1H3.
What are the key properties of 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one?
2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 104691901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).