1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone

C16H30N2O — CID 60977352

IUPAC1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
SMILESCCC1CCC(NCC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-2-14-7-9-15(10-8-14)17-13-16(19)18-11-5-3-4-6-12-18/h14-15,17H,2-13H2,1H3
InChIKeySBHREDXUVJNQKC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds4

About 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone

1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone (PubChem CID 60977352) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
PubChem CID60977352
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
SMILESCCC1CCC(NCC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-2-14-7-9-15(10-8-14)17-13-16(19)18-11-5-3-4-6-12-18/h14-15,17H,2-13H2,1H3
InChIKeySBHREDXUVJNQKC-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyclopentylpropyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 49853984
2-(Cyano-methyl-amino)-N-((S)-2-cyclohexyl-1-methyl-ethyl)-acetamide
CID 44398665
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
3-[(3-Methylcyclohexyl)amino]-2-azepanone
CID 2846276
3-((4-Ethylcyclohexyl)amino)azepan-2-one
CID 3866131
(6R)-6-butyl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299353
Diaethylaminoessigsaeure-cis,cis-2,6-dimethylcyclohexylamid [German]
CID 3044615
Acetamide, 2-(diethylamino)-N-(2,6-dimethylcyclohexyl)-, (1-alpha,2-alpha,6-beta)-
CID 3044616
N-(4-methylcyclohexyl)-2-(piperazin-1-yl)acetamide
CID 22762711
2-acetamido-N-(4-methylcyclohexyl)acetamide
CID 8895159
Cambridge id 5420729
CID 782376
(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299343

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone (CID 60977352) is 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone is CCC1CCC(NCC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone?
The InChIKey is SBHREDXUVJNQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-14-7-9-15(10-8-14)17-13-16(19)18-11-5-3-4-6-12-18/h14-15,17H,2-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone?
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone has a molecular weight of 266.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone is sourced from PubChem (CID 60977352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).