2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine

C13H23N3 — CID 62220733

IUPAC2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine
SMILESCCC(CC)c1nc(C2CC2)n(CC)c1N
InChIInChI=1S/C13H23N3/c1-4-9(5-2)11-12(14)16(6-3)13(15-11)10-7-8-10/h9-10H,4-8,14H2,1-3H3
InChIKeyYTKJPJHITACIAM-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.27
Rot. Bonds5

About 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine

2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine (PubChem CID 62220733) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine
PubChem CID62220733
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine
SMILESCCC(CC)c1nc(C2CC2)n(CC)c1N
InChIInChI=1S/C13H23N3/c1-4-9(5-2)11-12(14)16(6-3)13(15-11)10-7-8-10/h9-10H,4-8,14H2,1-3H3
InChIKeyYTKJPJHITACIAM-UHFFFAOYSA-N
XLogP3.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine (CID 62220733) is 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine is CCC(CC)c1nc(C2CC2)n(CC)c1N.
What is the InChIKey of 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine?
The InChIKey is YTKJPJHITACIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-9(5-2)11-12(14)16(6-3)13(15-11)10-7-8-10/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine?
2-cyclopropyl-3-ethyl-5-pentan-3-ylimidazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.27, 5 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-pentan-3-ylimidazol-4-amine is sourced from PubChem (CID 62220733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).