3-cyclopropyl-5-propan-2-ylimidazol-4-amine

C9H15N3 — CID 62077490

IUPAC3-cyclopropyl-5-propan-2-ylimidazol-4-amine
SMILESCC(C)c1ncn(C2CC2)c1N
InChIInChI=1S/C9H15N3/c1-6(2)8-9(10)12(5-11-8)7-3-4-7/h5-7H,3-4,10H2,1-2H3
InChIKeyQGBGSBRDQLXQIQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds2

About 3-cyclopropyl-5-propan-2-ylimidazol-4-amine

3-cyclopropyl-5-propan-2-ylimidazol-4-amine (PubChem CID 62077490) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cyclopropyl-5-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-propan-2-ylimidazol-4-amine
PubChem CID62077490
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-cyclopropyl-5-propan-2-ylimidazol-4-amine
SMILESCC(C)c1ncn(C2CC2)c1N
InChIInChI=1S/C9H15N3/c1-6(2)8-9(10)12(5-11-8)7-3-4-7/h5-7H,3-4,10H2,1-2H3
InChIKeyQGBGSBRDQLXQIQ-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-propan-2-ylimidazol-4-amine (CID 62077490) is 3-cyclopropyl-5-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-propan-2-ylimidazol-4-amine is CC(C)c1ncn(C2CC2)c1N.
What is the InChIKey of 3-cyclopropyl-5-propan-2-ylimidazol-4-amine?
The InChIKey is QGBGSBRDQLXQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)8-9(10)12(5-11-8)7-3-4-7/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-propan-2-ylimidazol-4-amine?
3-cyclopropyl-5-propan-2-ylimidazol-4-amine has a molecular weight of 165.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62077490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).