1-(3-methylimidazol-4-yl)ethanamine

C6H11N3 — CID 54236205

IUPAC1-(3-methylimidazol-4-yl)ethanamine
SMILESCC(N)c1cncn1C
InChIInChI=1S/C6H11N3/c1-5(7)6-3-8-4-9(6)2/h3-5H,7H2,1-2H3
InChIKeyARKPMOZBRKFUHB-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.44
Rot. Bonds1

About 1-(3-methylimidazol-4-yl)ethanamine

1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 54236205) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)ethanamine
PubChem CID54236205
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(3-methylimidazol-4-yl)ethanamine
SMILESCC(N)c1cncn1C
InChIInChI=1S/C6H11N3/c1-5(7)6-3-8-4-9(6)2/h3-5H,7H2,1-2H3
InChIKeyARKPMOZBRKFUHB-UHFFFAOYSA-N
XLogP0.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 1-(3-methylimidazol-4-yl)ethanamine (CID 54236205) is 1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)ethanamine is CC(N)c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is ARKPMOZBRKFUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(7)6-3-8-4-9(6)2/h3-5H,7H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)ethanamine?
1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 54236205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).