5-hexyl-1-pentylimidazol-2-amine;hydrochloride

C14H28ClN3 — CID 56659750

IUPAC5-hexyl-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCCc1cnc(N)n1CCCCC.Cl
InChIInChI=1S/C14H27N3.ClH/c1-3-5-7-8-10-13-12-16-14(15)17(13)11-9-6-4-2;/h12H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyVFZNPADMSHMDJY-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.20
Rot. Bonds9

About 5-hexyl-1-pentylimidazol-2-amine;hydrochloride

5-hexyl-1-pentylimidazol-2-amine;hydrochloride (PubChem CID 56659750) has the molecular formula C14H28ClN3 and a molecular weight of 273.85 g/mol. Its IUPAC name is 5-hexyl-1-pentylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-hexyl-1-pentylimidazol-2-amine;hydrochloride
PubChem CID56659750
Molecular FormulaC14H28ClN3
Molecular Weight273.85 g/mol
Exact Mass273.20
IUPAC Name5-hexyl-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCCc1cnc(N)n1CCCCC.Cl
InChIInChI=1S/C14H27N3.ClH/c1-3-5-7-8-10-13-12-16-14(15)17(13)11-9-6-4-2;/h12H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyVFZNPADMSHMDJY-UHFFFAOYSA-N
XLogP4.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-hexyl-1-pentylimidazol-2-amine;hydrochloride?
The IUPAC name of 5-hexyl-1-pentylimidazol-2-amine;hydrochloride (CID 56659750) is 5-hexyl-1-pentylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-hexyl-1-pentylimidazol-2-amine;hydrochloride?
The canonical SMILES for 5-hexyl-1-pentylimidazol-2-amine;hydrochloride is CCCCCCc1cnc(N)n1CCCCC.Cl.
What is the InChIKey of 5-hexyl-1-pentylimidazol-2-amine;hydrochloride?
The InChIKey is VFZNPADMSHMDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.ClH/c1-3-5-7-8-10-13-12-16-14(15)17(13)11-9-6-4-2;/h12H,3-11H2,1-2H3,(H2,15,16);1H.
What are the key properties of 5-hexyl-1-pentylimidazol-2-amine;hydrochloride?
5-hexyl-1-pentylimidazol-2-amine;hydrochloride has a molecular weight of 273.85 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1-pentylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 56659750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).