2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine

C17H31N3 — CID 62219186

IUPAC2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine
SMILESCCCCCCc1nc(C2CCCC2)n(C(C)C)c1N
InChIInChI=1S/C17H31N3/c1-4-5-6-7-12-15-16(18)20(13(2)3)17(19-15)14-10-8-9-11-14/h13-14H,4-12,18H2,1-3H3
InChIKeyFTECUKVRFSVXBL-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.83
Rot. Bonds7

About 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine

2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine (PubChem CID 62219186) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine
PubChem CID62219186
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine
SMILESCCCCCCc1nc(C2CCCC2)n(C(C)C)c1N
InChIInChI=1S/C17H31N3/c1-4-5-6-7-12-15-16(18)20(13(2)3)17(19-15)14-10-8-9-11-14/h13-14H,4-12,18H2,1-3H3
InChIKeyFTECUKVRFSVXBL-UHFFFAOYSA-N
XLogP4.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.83
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-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine (CID 62219186) is 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine is CCCCCCc1nc(C2CCCC2)n(C(C)C)c1N.
What is the InChIKey of 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is FTECUKVRFSVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-5-6-7-12-15-16(18)20(13(2)3)17(19-15)14-10-8-9-11-14/h13-14H,4-12,18H2,1-3H3.
What are the key properties of 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine?
2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 277.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62219186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).