1-ethylimidazol-4-amine

C5H9N3 — CID 53403306

IUPAC1-ethylimidazol-4-amine
SMILESCCn1cnc(N)c1
InChIInChI=1S/C5H9N3/c1-2-8-3-5(6)7-4-8/h3-4H,2,6H2,1H3
InChIKeyDPRMXZQCCDEZAL-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.49
Rot. Bonds1

About 1-ethylimidazol-4-amine

1-ethylimidazol-4-amine (PubChem CID 53403306) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-ethylimidazol-4-amine.

Molecular Properties

Compound Name1-ethylimidazol-4-amine
PubChem CID53403306
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-ethylimidazol-4-amine
SMILESCCn1cnc(N)c1
InChIInChI=1S/C5H9N3/c1-2-8-3-5(6)7-4-8/h3-4H,2,6H2,1H3
InChIKeyDPRMXZQCCDEZAL-UHFFFAOYSA-N
XLogP0.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazol-4-amine?
The IUPAC name of 1-ethylimidazol-4-amine (CID 53403306) is 1-ethylimidazol-4-amine.
What is the SMILES notation for 1-ethylimidazol-4-amine?
The canonical SMILES for 1-ethylimidazol-4-amine is CCn1cnc(N)c1.
What is the InChIKey of 1-ethylimidazol-4-amine?
The InChIKey is DPRMXZQCCDEZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-8-3-5(6)7-4-8/h3-4H,2,6H2,1H3.
What are the key properties of 1-ethylimidazol-4-amine?
1-ethylimidazol-4-amine has a molecular weight of 111.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazol-4-amine is sourced from PubChem (CID 53403306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).