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

C17H34ClN3 — CID 54752927

IUPAC5-hexyl-1-octylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCn1c(CCCCCC)cnc1N.Cl
InChIInChI=1S/C17H33N3.ClH/c1-3-5-7-9-10-12-14-20-16(15-19-17(20)18)13-11-8-6-4-2;/h15H,3-14H2,1-2H3,(H2,18,19);1H
InChIKeyPZLRKHGEBVQDGU-UHFFFAOYSA-N
MW315.93 g/mol
LogP5.37
Rot. Bonds12

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

5-hexyl-1-octylimidazol-2-amine;hydrochloride (PubChem CID 54752927) has the molecular formula C17H34ClN3 and a molecular weight of 315.93 g/mol. Its IUPAC name is 5-hexyl-1-octylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-hexyl-1-octylimidazol-2-amine;hydrochloride
PubChem CID54752927
Molecular FormulaC17H34ClN3
Molecular Weight315.93 g/mol
Exact Mass315.24
IUPAC Name5-hexyl-1-octylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCn1c(CCCCCC)cnc1N.Cl
InChIInChI=1S/C17H33N3.ClH/c1-3-5-7-9-10-12-14-20-16(15-19-17(20)18)13-11-8-6-4-2;/h15H,3-14H2,1-2H3,(H2,18,19);1H
InChIKeyPZLRKHGEBVQDGU-UHFFFAOYSA-N
XLogP5.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.93
LogP ≤ 55.37
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-octylimidazol-2-amine;hydrochloride?
The IUPAC name of 5-hexyl-1-octylimidazol-2-amine;hydrochloride (CID 54752927) is 5-hexyl-1-octylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-hexyl-1-octylimidazol-2-amine;hydrochloride?
The canonical SMILES for 5-hexyl-1-octylimidazol-2-amine;hydrochloride is CCCCCCCCn1c(CCCCCC)cnc1N.Cl.
What is the InChIKey of 5-hexyl-1-octylimidazol-2-amine;hydrochloride?
The InChIKey is PZLRKHGEBVQDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3.ClH/c1-3-5-7-9-10-12-14-20-16(15-19-17(20)18)13-11-8-6-4-2;/h15H,3-14H2,1-2H3,(H2,18,19);1H.
What are the key properties of 5-hexyl-1-octylimidazol-2-amine;hydrochloride?
5-hexyl-1-octylimidazol-2-amine;hydrochloride has a molecular weight of 315.93 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1-octylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 54752927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).