4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one

C12H19N3O — CID 79119511

IUPAC4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CCn1ccnc1)C1CCC(=O)CC1
InChIInChI=1S/C12H19N3O/c1-14(8-9-15-7-6-13-10-15)11-2-4-12(16)5-3-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyHPAZNCXUYLOPJD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.33
Rot. Bonds4

About 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one

4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one (PubChem CID 79119511) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one
PubChem CID79119511
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CCn1ccnc1)C1CCC(=O)CC1
InChIInChI=1S/C12H19N3O/c1-14(8-9-15-7-6-13-10-15)11-2-4-12(16)5-3-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyHPAZNCXUYLOPJD-UHFFFAOYSA-N
XLogP1.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120650
cis-(1R,2S)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
CID 99581089
cis-(1S,2R)-N-(2-imidazol-1-ylethyl)-N,2-dimethylcyclohexan-1-amine
CID 99581081
4-[methyl(2-morpholin-4-ylethyl)amino]cyclohexan-1-one
CID 79120517
4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
CID 79119944
4-[di(imidazol-1-yl)amino]cyclohexan-1-one
CID 138676571
4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
CID 79120512
4-[2-cyclobutylethyl(methyl)amino]cyclohexan-1-one
CID 117039789
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
4-[but-3-ynyl(methyl)amino]cyclohexan-1-one
CID 79119767
4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
CID 117039757
2-[2-[2-imidazol-1-ylethyl(methyl)amino]ethyl]benzoic acid
CID 104548858

Frequently Asked Questions

What is the IUPAC name of 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one (CID 79119511) is 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one is CN(CCn1ccnc1)C1CCC(=O)CC1.
What is the InChIKey of 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is HPAZNCXUYLOPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14(8-9-15-7-6-13-10-15)11-2-4-12(16)5-3-11/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one?
4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-imidazol-1-ylethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79119511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).