2-(1-methylimidazol-4-yl)ethanamine

C6H11N3 — CID 3614

IUPAC2-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(CCN)c1
InChIInChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChIKeyFHQDWPCFSJMNCT-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.08
Rot. Bonds2

About 2-(1-methylimidazol-4-yl)ethanamine

2-(1-methylimidazol-4-yl)ethanamine (PubChem CID 3614) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)ethanamine
PubChem CID3614
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(1-methylimidazol-4-yl)ethanamine
SMILESCn1cnc(CCN)c1
InChIInChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChIKeyFHQDWPCFSJMNCT-UHFFFAOYSA-N
XLogP-0.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(1-methylimidazol-4-yl)ethanamine (CID 3614) is 2-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-methylimidazol-4-yl)ethanamine is Cn1cnc(CCN)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is FHQDWPCFSJMNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3.
What are the key properties of 2-(1-methylimidazol-4-yl)ethanamine?
2-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 3614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).