2-(1H-imidazol-5-yl)propan-1-amine

C6H11N3 — CID 565544

IUPAC2-(1H-imidazol-5-yl)propan-1-amine
SMILESCC(CN)c1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyUTXDPIGHIUIJIS-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.47
Rot. Bonds2

About 2-(1H-imidazol-5-yl)propan-1-amine

2-(1H-imidazol-5-yl)propan-1-amine (PubChem CID 565544) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)propan-1-amine
PubChem CID565544
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(1H-imidazol-5-yl)propan-1-amine
SMILESCC(CN)c1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyUTXDPIGHIUIJIS-UHFFFAOYSA-N
XLogP0.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1H-imidazol-5-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 2-(1H-imidazol-5-yl)propan-1-amine?
The IUPAC name of 2-(1H-imidazol-5-yl)propan-1-amine (CID 565544) is 2-(1H-imidazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(1H-imidazol-5-yl)propan-1-amine is CC(CN)c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)propan-1-amine?
The InChIKey is UTXDPIGHIUIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-5-yl)propan-1-amine?
2-(1H-imidazol-5-yl)propan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)propan-1-amine is sourced from PubChem (CID 565544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).