1-(1-methylimidazol-4-yl)ethanimine

C6H9N3 — CID 20703271

IUPAC1-(1-methylimidazol-4-yl)ethanimine
SMILES[H]/N=C(\C)c1cn(C)cn1
InChIInChI=1S/C6H9N3/c1-5(7)6-3-9(2)4-8-6/h3-4,7H,1-2H3/b7-5+
InChIKeyFVRNTVUHPKVQQS-FNORWQNLSA-N
MW123.16 g/mol
LogP0.81
Rot. Bonds1

About 1-(1-methylimidazol-4-yl)ethanimine

1-(1-methylimidazol-4-yl)ethanimine (PubChem CID 20703271) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)ethanimine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)ethanimine
PubChem CID20703271
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-(1-methylimidazol-4-yl)ethanimine
SMILES[H]/N=C(\C)c1cn(C)cn1
InChIInChI=1S/C6H9N3/c1-5(7)6-3-9(2)4-8-6/h3-4,7H,1-2H3/b7-5+
InChIKeyFVRNTVUHPKVQQS-FNORWQNLSA-N
XLogP0.81
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)ethanimine?
The IUPAC name of 1-(1-methylimidazol-4-yl)ethanimine (CID 20703271) is 1-(1-methylimidazol-4-yl)ethanimine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)ethanimine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)ethanimine is [H]/N=C(\C)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)ethanimine?
The InChIKey is FVRNTVUHPKVQQS-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(7)6-3-9(2)4-8-6/h3-4,7H,1-2H3/b7-5+.
What are the key properties of 1-(1-methylimidazol-4-yl)ethanimine?
1-(1-methylimidazol-4-yl)ethanimine has a molecular weight of 123.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)ethanimine is sourced from PubChem (CID 20703271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).