1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one

C10H17N3O — CID 116564884

IUPAC1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
SMILESCCn1ccnc1CC(=O)C(C)NC
InChIInChI=1S/C10H17N3O/c1-4-13-6-5-12-10(13)7-9(14)8(2)11-3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyMYLHHQJEOBOOFJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.62
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one

1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one (PubChem CID 116564884) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
PubChem CID116564884
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one
SMILESCCn1ccnc1CC(=O)C(C)NC
InChIInChI=1S/C10H17N3O/c1-4-13-6-5-12-10(13)7-9(14)8(2)11-3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyMYLHHQJEOBOOFJ-UHFFFAOYSA-N
XLogP0.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-one
CID 116710314
5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
CID 79760691
2-(1-ethylimidazol-2-yl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105009546
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one (CID 116564884) is 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one is CCn1ccnc1CC(=O)C(C)NC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one?
The InChIKey is MYLHHQJEOBOOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-13-6-5-12-10(13)7-9(14)8(2)11-3/h5-6,8,11H,4,7H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one?
1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(methylamino)butan-2-one is sourced from PubChem (CID 116564884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).