1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone

C16H27N3O — CID 79744573

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-5-19-11-10-17-15(19)12-14(20)16(18(3)4)8-6-13(2)7-9-16/h10-11,13H,5-9,12H2,1-4H3
InChIKeyNPRZWWSHVZOKDQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds5

About 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone

1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 79744573) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID79744573
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-5-19-11-10-17-15(19)12-14(20)16(18(3)4)8-6-13(2)7-9-16/h10-11,13H,5-9,12H2,1-4H3
InChIKeyNPRZWWSHVZOKDQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
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-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone (CID 79744573) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is NPRZWWSHVZOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19-11-10-17-15(19)12-14(20)16(18(3)4)8-6-13(2)7-9-16/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone?
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).