5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride

C15H30ClN3 — CID 54752931

IUPAC5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCn1c(CC(C)C)cnc1N.Cl
InChIInChI=1S/C15H29N3.ClH/c1-4-5-6-7-8-9-10-18-14(11-13(2)3)12-17-15(18)16;/h12-13H,4-11H2,1-3H3,(H2,16,17);1H
InChIKeyUKWIULHSVFKLLL-UHFFFAOYSA-N
MW287.88 g/mol
LogP4.45
Rot. Bonds9

About 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride

5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride (PubChem CID 54752931) has the molecular formula C15H30ClN3 and a molecular weight of 287.88 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride
PubChem CID54752931
Molecular FormulaC15H30ClN3
Molecular Weight287.88 g/mol
Exact Mass287.21
IUPAC Name5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride
SMILESCCCCCCCCn1c(CC(C)C)cnc1N.Cl
InChIInChI=1S/C15H29N3.ClH/c1-4-5-6-7-8-9-10-18-14(11-13(2)3)12-17-15(18)16;/h12-13H,4-11H2,1-3H3,(H2,16,17);1H
InChIKeyUKWIULHSVFKLLL-UHFFFAOYSA-N
XLogP4.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 54.45
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-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride?
The IUPAC name of 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride (CID 54752931) is 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride?
The canonical SMILES for 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride is CCCCCCCCn1c(CC(C)C)cnc1N.Cl.
What is the InChIKey of 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride?
The InChIKey is UKWIULHSVFKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.ClH/c1-4-5-6-7-8-9-10-18-14(11-13(2)3)12-17-15(18)16;/h12-13H,4-11H2,1-3H3,(H2,16,17);1H.
What are the key properties of 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride?
5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride has a molecular weight of 287.88 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-octylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 54752931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).