1-decyl-5-hexylimidazol-2-amine;hydrochloride

C19H38ClN3 — CID 54752929

IUPAC1-decyl-5-hexylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCCCn1c(CCCCCC)cnc1N.Cl
InChIInChI=1S/C19H37N3.ClH/c1-3-5-7-9-10-11-12-14-16-22-18(17-21-19(22)20)15-13-8-6-4-2;/h17H,3-16H2,1-2H3,(H2,20,21);1H
InChIKeyXHCGGZJLMJYEDY-UHFFFAOYSA-N
MW343.99 g/mol
LogP6.15
Rot. Bonds14

About 1-decyl-5-hexylimidazol-2-amine;hydrochloride

1-decyl-5-hexylimidazol-2-amine;hydrochloride (PubChem CID 54752929) has the molecular formula C19H38ClN3 and a molecular weight of 343.99 g/mol. Its IUPAC name is 1-decyl-5-hexylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-decyl-5-hexylimidazol-2-amine;hydrochloride
PubChem CID54752929
Molecular FormulaC19H38ClN3
Molecular Weight343.99 g/mol
Exact Mass343.28
IUPAC Name1-decyl-5-hexylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCCCn1c(CCCCCC)cnc1N.Cl
InChIInChI=1S/C19H37N3.ClH/c1-3-5-7-9-10-11-12-14-16-22-18(17-21-19(22)20)15-13-8-6-4-2;/h17H,3-16H2,1-2H3,(H2,20,21);1H
InChIKeyXHCGGZJLMJYEDY-UHFFFAOYSA-N
XLogP6.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.99
LogP ≤ 56.15
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 1-decyl-5-hexylimidazol-2-amine;hydrochloride?
The IUPAC name of 1-decyl-5-hexylimidazol-2-amine;hydrochloride (CID 54752929) is 1-decyl-5-hexylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-decyl-5-hexylimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-decyl-5-hexylimidazol-2-amine;hydrochloride is CCCCCCCCCCn1c(CCCCCC)cnc1N.Cl.
What is the InChIKey of 1-decyl-5-hexylimidazol-2-amine;hydrochloride?
The InChIKey is XHCGGZJLMJYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3.ClH/c1-3-5-7-9-10-11-12-14-16-22-18(17-21-19(22)20)15-13-8-6-4-2;/h17H,3-16H2,1-2H3,(H2,20,21);1H.
What are the key properties of 1-decyl-5-hexylimidazol-2-amine;hydrochloride?
1-decyl-5-hexylimidazol-2-amine;hydrochloride has a molecular weight of 343.99 g/mol, XLogP of 6.15, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-5-hexylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 54752929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).