1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone

C14H23N3O — CID 79744204

IUPAC1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
SMILESCN(C)C1(C(=O)Cc2nccn2C)CCCCC1
InChIInChI=1S/C14H23N3O/c1-16(2)14(7-5-4-6-8-14)12(18)11-13-15-9-10-17(13)3/h9-10H,4-8,11H2,1-3H3
InChIKeyBEIZTIIGRBDZDF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds4

About 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone

1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 79744204) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
PubChem CID79744204
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
SMILESCN(C)C1(C(=O)Cc2nccn2C)CCCCC1
InChIInChI=1S/C14H23N3O/c1-16(2)14(7-5-4-6-8-14)12(18)11-13-15-9-10-17(13)3/h9-10H,4-8,11H2,1-3H3
InChIKeyBEIZTIIGRBDZDF-UHFFFAOYSA-N
XLogP1.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79065968
1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 82869126
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-[1-(dimethylamino)cycloheptyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 79063367
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529797

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone (CID 79744204) is 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone is CN(C)C1(C(=O)Cc2nccn2C)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is BEIZTIIGRBDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)14(7-5-4-6-8-14)12(18)11-13-15-9-10-17(13)3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone?
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 249.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).