tetraethylazanium iodide

C8H20IN — CID 6225

IUPACtetraethylazanium iodide
SMILESCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyUQFSVBXCNGCBBW-UHFFFAOYSA-M
MW257.16 g/mol
LogP-1.11
Rot. Bonds4

About tetraethylazanium iodide

tetraethylazanium iodide (PubChem CID 6225) has the molecular formula C8H20IN and a molecular weight of 257.16 g/mol. Its IUPAC name is tetraethylazanium iodide.

Molecular Properties

Compound Nametetraethylazanium iodide
PubChem CID6225
Molecular FormulaC8H20IN
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Nametetraethylazanium iodide
SMILESCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyUQFSVBXCNGCBBW-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tetraethylazanium iodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium iodide?
The IUPAC name of tetraethylazanium iodide (CID 6225) is tetraethylazanium iodide.
What is the SMILES notation for tetraethylazanium iodide?
The canonical SMILES for tetraethylazanium iodide is CC[N+](CC)(CC)CC.[I-].
What is the InChIKey of tetraethylazanium iodide?
The InChIKey is UQFSVBXCNGCBBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetraethylazanium iodide?
tetraethylazanium iodide has a molecular weight of 257.16 g/mol, XLogP of -1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium iodide is sourced from PubChem (CID 6225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).