aluminum;methanediimine;triiodide

CH2AlI3N2 — CID 174884047

IUPACaluminum;methanediimine;triiodide
SMILESN=C=N.[Al+3].[I-].[I-].[I-]
InChIInChI=1S/CH2N2.Al.3HI/c2-1-3;;;;/h2-3H;;3*1H/q;+3;;;/p-3
InChIKeyOFQULJLGVWTXSJ-UHFFFAOYSA-K
MW449.73 g/mol
LogP-9.05
Rot. Bonds

About aluminum;methanediimine;triiodide

aluminum;methanediimine;triiodide (PubChem CID 174884047) has the molecular formula CH2AlI3N2 and a molecular weight of 449.73 g/mol. Its IUPAC name is aluminum;methanediimine;triiodide.

Molecular Properties

Compound Namealuminum;methanediimine;triiodide
PubChem CID174884047
Molecular FormulaCH2AlI3N2
Molecular Weight449.73 g/mol
Exact Mass449.72
IUPAC Namealuminum;methanediimine;triiodide
SMILESN=C=N.[Al+3].[I-].[I-].[I-]
InChIInChI=1S/CH2N2.Al.3HI/c2-1-3;;;;/h2-3H;;3*1H/q;+3;;;/p-3
InChIKeyOFQULJLGVWTXSJ-UHFFFAOYSA-K
XLogP-9.05
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.73
LogP ≤ 5-9.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze aluminum;methanediimine;triiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanediimine
CID 161145332
methanediimine;zirconium
CID 175955107
potassium;methanediimine;hydroxide
CID 174948340
methanediimine;sulfur monoxide
CID 173434188
cyclohexane;methanediimine
CID 161069555
iodomethane;methanediimine
CID 22323963
cyclobutane;methanediimine
CID 175046874
methanediimine;oxaldehyde
CID 175329130
dichloro(oxido)sulfanium;methanediimine
CID 174831171
aluminum;triiodide;hydrate
CID 23184916
cyclohexene;methanediimine
CID 135389565
isocyanic acid;sulfane
CID 161242825

Frequently Asked Questions

What is the IUPAC name of aluminum;methanediimine;triiodide?
The IUPAC name of aluminum;methanediimine;triiodide (CID 174884047) is aluminum;methanediimine;triiodide.
What is the SMILES notation for aluminum;methanediimine;triiodide?
The canonical SMILES for aluminum;methanediimine;triiodide is N=C=N.[Al+3].[I-].[I-].[I-].
What is the InChIKey of aluminum;methanediimine;triiodide?
The InChIKey is OFQULJLGVWTXSJ-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2N2.Al.3HI/c2-1-3;;;;/h2-3H;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;methanediimine;triiodide?
aluminum;methanediimine;triiodide has a molecular weight of 449.73 g/mol, XLogP of -9.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;methanediimine;triiodide is sourced from PubChem (CID 174884047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).