1-(3-methylimidazol-4-yl)butan-2-amine

C8H15N3 — CID 55254956

IUPAC1-(3-methylimidazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1cncn1C
InChIInChI=1S/C8H15N3/c1-3-7(9)4-8-5-10-6-11(8)2/h5-7H,3-4,9H2,1-2H3
InChIKeyIOTLIUYNZJTWRE-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.70
Rot. Bonds3

About 1-(3-methylimidazol-4-yl)butan-2-amine

1-(3-methylimidazol-4-yl)butan-2-amine (PubChem CID 55254956) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)butan-2-amine
PubChem CID55254956
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(3-methylimidazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1cncn1C
InChIInChI=1S/C8H15N3/c1-3-7(9)4-8-5-10-6-11(8)2/h5-7H,3-4,9H2,1-2H3
InChIKeyIOTLIUYNZJTWRE-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylimidazol-4-yl)butan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)butan-2-amine?
The IUPAC name of 1-(3-methylimidazol-4-yl)butan-2-amine (CID 55254956) is 1-(3-methylimidazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)butan-2-amine is CCC(N)Cc1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)butan-2-amine?
The InChIKey is IOTLIUYNZJTWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-7(9)4-8-5-10-6-11(8)2/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)butan-2-amine?
1-(3-methylimidazol-4-yl)butan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)butan-2-amine is sourced from PubChem (CID 55254956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).