2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine

C14H25N3 — CID 55048836

IUPAC2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine
SMILESCCCCCCc1nc(C2CC2)n(CC)c1N
InChIInChI=1S/C14H25N3/c1-3-5-6-7-8-12-13(15)17(4-2)14(16-12)11-9-10-11/h11H,3-10,15H2,1-2H3
InChIKeyBWCRTUCOMPKFOW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.49
Rot. Bonds7

About 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine

2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine (PubChem CID 55048836) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine
PubChem CID55048836
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine
SMILESCCCCCCc1nc(C2CC2)n(CC)c1N
InChIInChI=1S/C14H25N3/c1-3-5-6-7-8-12-13(15)17(4-2)14(16-12)11-9-10-11/h11H,3-10,15H2,1-2H3
InChIKeyBWCRTUCOMPKFOW-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.49
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

2,3-dicyclopropyl-5-hexylimidazol-4-amine
CID 62220748
2-cyclohexyl-4-heptylimidazole-1,5-diamine
CID 63468221
2-cyclohexyl-4-pentylimidazole-1,5-diamine
CID 62507105
2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine
CID 62219186
2-cyclohexyl-5-(2,2-dimethylpropyl)-3-ethylimidazol-4-amine
CID 62966189
2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine
CID 62220733
3-butyl-2-ethyl-5-heptylimidazol-4-amine
CID 63469087
2-cyclopropyl-5-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62218612
3-butyl-2-cyclohexyl-5-(2,2-dimethylpropyl)imidazol-4-amine
CID 63467488
2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine
CID 62077188
3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine
CID 62220445
5-hexyl-2,3-dimethylimidazol-4-amine
CID 62226133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine (CID 55048836) is 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine is CCCCCCc1nc(C2CC2)n(CC)c1N.
What is the InChIKey of 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine?
The InChIKey is BWCRTUCOMPKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-6-7-8-12-13(15)17(4-2)14(16-12)11-9-10-11/h11H,3-10,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine?
2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine is sourced from PubChem (CID 55048836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).