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

C16H27N3O — CID 79744387

IUPAC1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-11-19-12-10-17-15(19)13-14(20)16(18(2)3)8-6-5-7-9-16/h10,12H,4-9,11,13H2,1-3H3
InChIKeyUIDXACPJBFUFSR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.67
Rot. Bonds6

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

1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 79744387) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
PubChem CID79744387
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-11-19-12-10-17-15(19)13-14(20)16(18(2)3)8-6-5-7-9-16/h10,12H,4-9,11,13H2,1-3H3
InChIKeyUIDXACPJBFUFSR-UHFFFAOYSA-N
XLogP2.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79065968
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 82869126
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone (CID 79744387) is 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is UIDXACPJBFUFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-11-19-12-10-17-15(19)13-14(20)16(18(2)3)8-6-5-7-9-16/h10,12H,4-9,11,13H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.67, 6 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-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).