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

C13H23N3 — CID 62220445

IUPAC3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine
SMILESCCCCCc1nc(CC)n(C2CC2)c1N
InChIInChI=1S/C13H23N3/c1-3-5-6-7-11-13(14)16(10-8-9-10)12(4-2)15-11/h10H,3-9,14H2,1-2H3
InChIKeyDEEIKHIAHVVGRO-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.10
Rot. Bonds6

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

3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine (PubChem CID 62220445) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine
PubChem CID62220445
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine
SMILESCCCCCc1nc(CC)n(C2CC2)c1N
InChIInChI=1S/C13H23N3/c1-3-5-6-7-11-13(14)16(10-8-9-10)12(4-2)15-11/h10H,3-9,14H2,1-2H3
InChIKeyDEEIKHIAHVVGRO-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.10
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 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine (CID 62220445) is 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine is CCCCCc1nc(CC)n(C2CC2)c1N.
What is the InChIKey of 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine?
The InChIKey is DEEIKHIAHVVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-6-7-11-13(14)16(10-8-9-10)12(4-2)15-11/h10H,3-9,14H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine?
3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine is sourced from PubChem (CID 62220445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).