5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine

C9H15N3 — CID 163674915

IUPAC5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine
SMILESCC/C=C\c1ncn(CC)c1N
InChIInChI=1S/C9H15N3/c1-3-5-6-8-9(10)12(4-2)7-11-8/h5-7H,3-4,10H2,1-2H3/b6-5-
InChIKeyJFUYUFGMZPWQPE-WAYWQWQTSA-N
MW165.24 g/mol
LogP1.91
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine

5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine (PubChem CID 163674915) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine
PubChem CID163674915
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine
SMILESCC/C=C\c1ncn(CC)c1N
InChIInChI=1S/C9H15N3/c1-3-5-6-8-9(10)12(4-2)7-11-8/h5-7H,3-4,10H2,1-2H3/b6-5-
InChIKeyJFUYUFGMZPWQPE-WAYWQWQTSA-N
XLogP1.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine?
The IUPAC name of 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine (CID 163674915) is 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine is CC/C=C\c1ncn(CC)c1N.
What is the InChIKey of 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine?
The InChIKey is JFUYUFGMZPWQPE-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-5-6-8-9(10)12(4-2)7-11-8/h5-7H,3-4,10H2,1-2H3/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine?
5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine has a molecular weight of 165.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-3-ethylimidazol-4-amine is sourced from PubChem (CID 163674915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).