3-(2-methylimidazol-1-yl)propan-1-amine

C7H13N3 — CID 3152105

IUPAC3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CCCN
InChIInChI=1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
InChIKeyNDUDHWBKFFJGMA-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.54
Rot. Bonds3

About 3-(2-methylimidazol-1-yl)propan-1-amine

3-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 3152105) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID3152105
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CCCN
InChIInChI=1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
InChIKeyNDUDHWBKFFJGMA-UHFFFAOYSA-N
XLogP0.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylimidazol-1-yl)propan-1-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 3-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(2-methylimidazol-1-yl)propan-1-amine (CID 3152105) is 3-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-methylimidazol-1-yl)propan-1-amine is Cc1nccn1CCCN.
What is the InChIKey of 3-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is NDUDHWBKFFJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3.
What are the key properties of 3-(2-methylimidazol-1-yl)propan-1-amine?
3-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 3152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).