2-(3-ethylimidazol-4-yl)ethanamine

C7H13N3 — CID 18722269

IUPAC2-(3-ethylimidazol-4-yl)ethanamine
SMILESCCn1cncc1CCN
InChIInChI=1S/C7H13N3/c1-2-10-6-9-5-7(10)3-4-8/h5-6H,2-4,8H2,1H3
InChIKeyHYPFUJPUZWUNAJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.40
Rot. Bonds3

About 2-(3-ethylimidazol-4-yl)ethanamine

2-(3-ethylimidazol-4-yl)ethanamine (PubChem CID 18722269) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)ethanamine
PubChem CID18722269
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(3-ethylimidazol-4-yl)ethanamine
SMILESCCn1cncc1CCN
InChIInChI=1S/C7H13N3/c1-2-10-6-9-5-7(10)3-4-8/h5-6H,2-4,8H2,1H3
InChIKeyHYPFUJPUZWUNAJ-UHFFFAOYSA-N
XLogP0.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3-ethylimidazol-4-yl)ethanamine (CID 18722269) is 2-(3-ethylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)ethanamine is CCn1cncc1CCN.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)ethanamine?
The InChIKey is HYPFUJPUZWUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-10-6-9-5-7(10)3-4-8/h5-6H,2-4,8H2,1H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)ethanamine?
2-(3-ethylimidazol-4-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 18722269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).