2-butyl-3-methylimidazol-4-amine

C8H15N3 — CID 18793825

IUPAC2-butyl-3-methylimidazol-4-amine
SMILESCCCCc1ncc(N)n1C
InChIInChI=1S/C8H15N3/c1-3-4-5-8-10-6-7(9)11(8)2/h6H,3-5,9H2,1-2H3
InChIKeyXYKRTPDDILXVSU-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.34
Rot. Bonds3

About 2-butyl-3-methylimidazol-4-amine

2-butyl-3-methylimidazol-4-amine (PubChem CID 18793825) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-butyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-butyl-3-methylimidazol-4-amine
PubChem CID18793825
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-butyl-3-methylimidazol-4-amine
SMILESCCCCc1ncc(N)n1C
InChIInChI=1S/C8H15N3/c1-3-4-5-8-10-6-7(9)11(8)2/h6H,3-5,9H2,1-2H3
InChIKeyXYKRTPDDILXVSU-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butyl-3-methylimidazol-4-amine 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

2-butyl-3-methylimidazol-4-amine;hydrochloride
CID 140989988
2-ethyl-3-methylimidazol-4-amine
CID 142495641
5-chloro-2-(3-chloropropyl)-1-methylimidazole
CID 165445554
2-ethylsulfonyl-3-methylimidazol-4-amine
CID 117190426
5-butyl-2-chloro-1-methylimidazole
CID 67213494
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
2-butyl-5-methylpyrazine
CID 6428803
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
2-butyl-3-[(4-methylphenyl)methyl]imidazole-4-carbaldehyde
CID 143948337
5-butyl-2-ethyl-3-methylimidazol-4-amine
CID 62225832
5-butyl-4-methylpyridin-2-amine
CID 106659105
3,4-dimethyl-5-pentyl-1,2,4-triazole
CID 91086402

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylimidazol-4-amine?
The IUPAC name of 2-butyl-3-methylimidazol-4-amine (CID 18793825) is 2-butyl-3-methylimidazol-4-amine.
What is the SMILES notation for 2-butyl-3-methylimidazol-4-amine?
The canonical SMILES for 2-butyl-3-methylimidazol-4-amine is CCCCc1ncc(N)n1C.
What is the InChIKey of 2-butyl-3-methylimidazol-4-amine?
The InChIKey is XYKRTPDDILXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-8-10-6-7(9)11(8)2/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-butyl-3-methylimidazol-4-amine?
2-butyl-3-methylimidazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylimidazol-4-amine is sourced from PubChem (CID 18793825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).