3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide

C9H16N4O — CID 127004699

IUPAC3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide
SMILESCC(N)C(C)C(=O)Nc1nccn1C
InChIInChI=1S/C9H16N4O/c1-6(7(2)10)8(14)12-9-11-4-5-13(9)3/h4-7H,10H2,1-3H3,(H,11,12,14)
InChIKeyIAHIRJQFLZWUDP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds3

About 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide

3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide (PubChem CID 127004699) 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)butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide
PubChem CID127004699
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide
SMILESCC(N)C(C)C(=O)Nc1nccn1C
InChIInChI=1S/C9H16N4O/c1-6(7(2)10)8(14)12-9-11-4-5-13(9)3/h4-7H,10H2,1-3H3,(H,11,12,14)
InChIKeyIAHIRJQFLZWUDP-UHFFFAOYSA-N
XLogP0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide 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

N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
CID 53515125
N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
CID 56778639
1-Imidazol-1-yl-3-methylbutan-1-one
CID 82111192
N-(3-imidazolylpropyl)propanamide
CID 4135721
N-(3-imidazol-1-ylpropyl)acetamide
CID 5197470
N-(alanyl)imidazole
CID 53875924
N-((r,s)-1-imidazol-1-yl-butyl)-acetamide
CID 101676780

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide (CID 127004699) is 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide is CC(N)C(C)C(=O)Nc1nccn1C.
What is the InChIKey of 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide?
The InChIKey is IAHIRJQFLZWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(7(2)10)8(14)12-9-11-4-5-13(9)3/h4-7H,10H2,1-3H3,(H,11,12,14).
What are the key properties of 3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide?
3-amino-2-methyl-N-(1-methylimidazol-2-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.34, 3 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)butanamide is sourced from PubChem (CID 127004699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).