3-(1H-imidazol-2-yl)propan-1-amine

C6H11N3 — CID 13290797

IUPAC3-(1H-imidazol-2-yl)propan-1-amine
SMILESNCCCc1ncc[nH]1
InChIInChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)
InChIKeyHQNOODJDSFSURF-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.30
Rot. Bonds3

About 3-(1H-imidazol-2-yl)propan-1-amine

3-(1H-imidazol-2-yl)propan-1-amine (PubChem CID 13290797) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)propan-1-amine
PubChem CID13290797
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-(1H-imidazol-2-yl)propan-1-amine
SMILESNCCCc1ncc[nH]1
InChIInChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)
InChIKeyHQNOODJDSFSURF-UHFFFAOYSA-N
XLogP0.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(1H-imidazol-2-yl)propan-1-amine (CID 13290797) is 3-(1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1H-imidazol-2-yl)propan-1-amine is NCCCc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)propan-1-amine?
The InChIKey is HQNOODJDSFSURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9).
What are the key properties of 3-(1H-imidazol-2-yl)propan-1-amine?
3-(1H-imidazol-2-yl)propan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 13290797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).