5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine

C15H29N3 — CID 62221040

IUPAC5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCCCCc1nc(CCC)n(C(C)C)c1N
InChIInChI=1S/C15H29N3/c1-5-7-8-9-11-13-15(16)18(12(3)4)14(17-13)10-6-2/h12H,5-11,16H2,1-4H3
InChIKeyOWYCVFQDEHVKJU-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.12
Rot. Bonds8

About 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine

5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine (PubChem CID 62221040) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine
PubChem CID62221040
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine
SMILESCCCCCCc1nc(CCC)n(C(C)C)c1N
InChIInChI=1S/C15H29N3/c1-5-7-8-9-11-13-15(16)18(12(3)4)14(17-13)10-6-2/h12H,5-11,16H2,1-4H3
InChIKeyOWYCVFQDEHVKJU-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.12
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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Related Compounds

5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62220670
2-tert-butyl-5-pentyl-3-propan-2-ylimidazol-4-amine
CID 62218298
2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine
CID 62219186
5-cyclopropyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62218349
3-butyl-2-ethyl-5-heptylimidazol-4-amine
CID 63469087
2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62224906
5-butyl-3-tert-butyl-2-propylimidazol-4-amine
CID 62219587
5-hexyl-2,3-dimethylimidazol-4-amine
CID 62226133
3-tert-butyl-2-ethyl-5-pentylimidazol-4-amine
CID 62219908
(5-octyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112593090
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993
3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 62220297

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine?
The IUPAC name of 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine (CID 62221040) is 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine?
The canonical SMILES for 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine is CCCCCCc1nc(CCC)n(C(C)C)c1N.
What is the InChIKey of 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine?
The InChIKey is OWYCVFQDEHVKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-7-8-9-11-13-15(16)18(12(3)4)14(17-13)10-6-2/h12H,5-11,16H2,1-4H3.
What are the key properties of 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine?
5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine has a molecular weight of 251.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-propan-2-yl-2-propylimidazol-4-amine is sourced from PubChem (CID 62221040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).