2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine

C10H17N3 — CID 91911587

IUPAC2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine
SMILESCc1cnc(C2CCC2)n1CCN
InChIInChI=1S/C10H17N3/c1-8-7-12-10(9-3-2-4-9)13(8)6-5-11/h7,9H,2-6,11H2,1H3
InChIKeyQBFSBLQNSNUWSC-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine

2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine (PubChem CID 91911587) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine
PubChem CID91911587
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine
SMILESCc1cnc(C2CCC2)n1CCN
InChIInChI=1S/C10H17N3/c1-8-7-12-10(9-3-2-4-9)13(8)6-5-11/h7,9H,2-6,11H2,1H3
InChIKeyQBFSBLQNSNUWSC-UHFFFAOYSA-N
XLogP1.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine (CID 91911587) is 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine is Cc1cnc(C2CCC2)n1CCN.
What is the InChIKey of 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine?
The InChIKey is QBFSBLQNSNUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-7-12-10(9-3-2-4-9)13(8)6-5-11/h7,9H,2-6,11H2,1H3.
What are the key properties of 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine?
2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-5-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 91911587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).