2,3-dicyclopropyl-5-hexylimidazol-4-amine

C15H25N3 — CID 62220748

IUPAC2,3-dicyclopropyl-5-hexylimidazol-4-amine
SMILESCCCCCCc1nc(C2CC2)n(C2CC2)c1N
InChIInChI=1S/C15H25N3/c1-2-3-4-5-6-13-14(16)18(12-9-10-12)15(17-13)11-7-8-11/h11-12H,2-10,16H2,1H3
InChIKeyZRYLYZKEISSFTG-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.80
Rot. Bonds7

About 2,3-dicyclopropyl-5-hexylimidazol-4-amine

2,3-dicyclopropyl-5-hexylimidazol-4-amine (PubChem CID 62220748) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2,3-dicyclopropyl-5-hexylimidazol-4-amine.

Molecular Properties

Compound Name2,3-dicyclopropyl-5-hexylimidazol-4-amine
PubChem CID62220748
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2,3-dicyclopropyl-5-hexylimidazol-4-amine
SMILESCCCCCCc1nc(C2CC2)n(C2CC2)c1N
InChIInChI=1S/C15H25N3/c1-2-3-4-5-6-13-14(16)18(12-9-10-12)15(17-13)11-7-8-11/h11-12H,2-10,16H2,1H3
InChIKeyZRYLYZKEISSFTG-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.80
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 2,3-dicyclopropyl-5-hexylimidazol-4-amine?
The IUPAC name of 2,3-dicyclopropyl-5-hexylimidazol-4-amine (CID 62220748) is 2,3-dicyclopropyl-5-hexylimidazol-4-amine.
What is the SMILES notation for 2,3-dicyclopropyl-5-hexylimidazol-4-amine?
The canonical SMILES for 2,3-dicyclopropyl-5-hexylimidazol-4-amine is CCCCCCc1nc(C2CC2)n(C2CC2)c1N.
What is the InChIKey of 2,3-dicyclopropyl-5-hexylimidazol-4-amine?
The InChIKey is ZRYLYZKEISSFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-4-5-6-13-14(16)18(12-9-10-12)15(17-13)11-7-8-11/h11-12H,2-10,16H2,1H3.
What are the key properties of 2,3-dicyclopropyl-5-hexylimidazol-4-amine?
2,3-dicyclopropyl-5-hexylimidazol-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclopropyl-5-hexylimidazol-4-amine is sourced from PubChem (CID 62220748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).