3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine

C12H23N3 — CID 175786027

IUPAC3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
SMILESCCCCCCc1cnc(CCCN)[nH]1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-7-11-10-14-12(15-11)8-6-9-13/h10H,2-9,13H2,1H3,(H,14,15)
InChIKeyQOJCZAMUDLLSGN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.42
Rot. Bonds8

About 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine

3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine (PubChem CID 175786027) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
PubChem CID175786027
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
SMILESCCCCCCc1cnc(CCCN)[nH]1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-7-11-10-14-12(15-11)8-6-9-13/h10H,2-9,13H2,1H3,(H,14,15)
InChIKeyQOJCZAMUDLLSGN-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine (CID 175786027) is 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine is CCCCCCc1cnc(CCCN)[nH]1.
What is the InChIKey of 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine?
The InChIKey is QOJCZAMUDLLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-3-4-5-7-11-10-14-12(15-11)8-6-9-13/h10H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine?
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 175786027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).