1-(2-cyclopropylethyl)-4-methylimidazol-2-amine

C9H15N3 — CID 106575832

IUPAC1-(2-cyclopropylethyl)-4-methylimidazol-2-amine
SMILESCc1cn(CCC2CC2)c(N)n1
InChIInChI=1S/C9H15N3/c1-7-6-12(9(10)11-7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,10,11)
InChIKeyVNDSRDPNGYOFCG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine

1-(2-cyclopropylethyl)-4-methylimidazol-2-amine (PubChem CID 106575832) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-methylimidazol-2-amine
PubChem CID106575832
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(2-cyclopropylethyl)-4-methylimidazol-2-amine
SMILESCc1cn(CCC2CC2)c(N)n1
InChIInChI=1S/C9H15N3/c1-7-6-12(9(10)11-7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,10,11)
InChIKeyVNDSRDPNGYOFCG-UHFFFAOYSA-N
XLogP1.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine (CID 106575832) is 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine is Cc1cn(CCC2CC2)c(N)n1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine?
The InChIKey is VNDSRDPNGYOFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-6-12(9(10)11-7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H2,10,11).
What are the key properties of 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine?
1-(2-cyclopropylethyl)-4-methylimidazol-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106575832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).