3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one

C10H17N3O — CID 116549035

IUPAC3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
SMILESCC(C)C(N)C(=O)Cc1nccn1C
InChIInChI=1S/C10H17N3O/c1-7(2)10(11)8(14)6-9-12-4-5-13(9)3/h4-5,7,10H,6,11H2,1-3H3
InChIKeyGVHJJTYXJVLINJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.51
Rot. Bonds4

About 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one

3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one (PubChem CID 116549035) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
PubChem CID116549035
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
SMILESCC(C)C(N)C(=O)Cc1nccn1C
InChIInChI=1S/C10H17N3O/c1-7(2)10(11)8(14)6-9-12-4-5-13(9)3/h4-5,7,10H,6,11H2,1-3H3
InChIKeyGVHJJTYXJVLINJ-UHFFFAOYSA-N
XLogP0.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
3-amino-4-methoxy-1-(1-methylimidazol-2-yl)butan-2-one
CID 116594114
3-amino-1-(1-methylimidazol-2-yl)-5-methylsulfonylpentan-2-one
CID 116552034
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79743827
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116581679
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
(NZ)-N-[3-methyl-1-(1-methylimidazol-2-yl)butan-2-ylidene]hydroxylamine
CID 171986172
(2S)-2-amino-3-methyl-N-(1-methylimidazol-2-yl)butanamide
CID 130993471
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one (CID 116549035) is 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one is CC(C)C(N)C(=O)Cc1nccn1C.
What is the InChIKey of 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
The InChIKey is GVHJJTYXJVLINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10(11)8(14)6-9-12-4-5-13(9)3/h4-5,7,10H,6,11H2,1-3H3.
What are the key properties of 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one?
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116549035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).