3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

C9H16N4O — CID 63293672

IUPAC3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(CN)C(=O)NCc1nccn1C
InChIInChI=1S/C9H16N4O/c1-7(5-10)9(14)12-6-8-11-3-4-13(8)2/h3-4,7H,5-6,10H2,1-2H3,(H,12,14)
InChIKeyUMNHYIIZYVPOMK-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.37
Rot. Bonds4

About 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 63293672) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID63293672
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(CN)C(=O)NCc1nccn1C
InChIInChI=1S/C9H16N4O/c1-7(5-10)9(14)12-6-8-11-3-4-13(8)2/h3-4,7H,5-6,10H2,1-2H3,(H,12,14)
InChIKeyUMNHYIIZYVPOMK-UHFFFAOYSA-N
XLogP-0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide 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

(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 63293627
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 63293672) is 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is CC(CN)C(=O)NCc1nccn1C.
What is the InChIKey of 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is UMNHYIIZYVPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(5-10)9(14)12-6-8-11-3-4-13(8)2/h3-4,7H,5-6,10H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 63293672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).