3-(3-methylimidazol-4-yl)propan-1-amine

C7H13N3 — CID 18722298

IUPAC3-(3-methylimidazol-4-yl)propan-1-amine
SMILESCn1cncc1CCCN
InChIInChI=1S/C7H13N3/c1-10-6-9-5-7(10)3-2-4-8/h5-6H,2-4,8H2,1H3
InChIKeyFNZORNAZZWFWEC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.31
Rot. Bonds3

About 3-(3-methylimidazol-4-yl)propan-1-amine

3-(3-methylimidazol-4-yl)propan-1-amine (PubChem CID 18722298) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)propan-1-amine
PubChem CID18722298
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-(3-methylimidazol-4-yl)propan-1-amine
SMILESCn1cncc1CCCN
InChIInChI=1S/C7H13N3/c1-10-6-9-5-7(10)3-2-4-8/h5-6H,2-4,8H2,1H3
InChIKeyFNZORNAZZWFWEC-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)propan-1-amine?
The IUPAC name of 3-(3-methylimidazol-4-yl)propan-1-amine (CID 18722298) is 3-(3-methylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(3-methylimidazol-4-yl)propan-1-amine is Cn1cncc1CCCN.
What is the InChIKey of 3-(3-methylimidazol-4-yl)propan-1-amine?
The InChIKey is FNZORNAZZWFWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-6-9-5-7(10)3-2-4-8/h5-6H,2-4,8H2,1H3.
What are the key properties of 3-(3-methylimidazol-4-yl)propan-1-amine?
3-(3-methylimidazol-4-yl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 18722298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).