(1,2-dimethylimidazol-4-yl)methanimine

C6H9N3 — CID 162602623

IUPAC(1,2-dimethylimidazol-4-yl)methanimine
SMILES[H]/N=C/c1cn(C)c(C)n1
InChIInChI=1S/C6H9N3/c1-5-8-6(3-7)4-9(5)2/h3-4,7H,1-2H3/b7-3+
InChIKeyZCHKSBVPZKHHJU-XVNBXDOJSA-N
MW123.16 g/mol
LogP0.73
Rot. Bonds1

About (1,2-dimethylimidazol-4-yl)methanimine

(1,2-dimethylimidazol-4-yl)methanimine (PubChem CID 162602623) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (1,2-dimethylimidazol-4-yl)methanimine.

Molecular Properties

Compound Name(1,2-dimethylimidazol-4-yl)methanimine
PubChem CID162602623
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(1,2-dimethylimidazol-4-yl)methanimine
SMILES[H]/N=C/c1cn(C)c(C)n1
InChIInChI=1S/C6H9N3/c1-5-8-6(3-7)4-9(5)2/h3-4,7H,1-2H3/b7-3+
InChIKeyZCHKSBVPZKHHJU-XVNBXDOJSA-N
XLogP0.73
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 ≤ 50.73
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 (1,2-dimethylimidazol-4-yl)methanimine?
The IUPAC name of (1,2-dimethylimidazol-4-yl)methanimine (CID 162602623) is (1,2-dimethylimidazol-4-yl)methanimine.
What is the SMILES notation for (1,2-dimethylimidazol-4-yl)methanimine?
The canonical SMILES for (1,2-dimethylimidazol-4-yl)methanimine is [H]/N=C/c1cn(C)c(C)n1.
What is the InChIKey of (1,2-dimethylimidazol-4-yl)methanimine?
The InChIKey is ZCHKSBVPZKHHJU-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-8-6(3-7)4-9(5)2/h3-4,7H,1-2H3/b7-3+.
What are the key properties of (1,2-dimethylimidazol-4-yl)methanimine?
(1,2-dimethylimidazol-4-yl)methanimine has a molecular weight of 123.16 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylimidazol-4-yl)methanimine is sourced from PubChem (CID 162602623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).