tetraethylazanium chloride

C8H20ClN — CID 5946

IUPACtetraethylazanium chloride
SMILESCC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C8H20N.ClH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyYMBCJWGVCUEGHA-UHFFFAOYSA-M
MW165.71 g/mol
LogP-1.11
Rot. Bonds4

About tetraethylazanium chloride

tetraethylazanium chloride (PubChem CID 5946) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is tetraethylazanium chloride.

Molecular Properties

Compound Nametetraethylazanium chloride
PubChem CID5946
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Nametetraethylazanium chloride
SMILESCC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C8H20N.ClH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyYMBCJWGVCUEGHA-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 ≤ 500165.71
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetraethylazanium chloride?
The IUPAC name of tetraethylazanium chloride (CID 5946) is tetraethylazanium chloride.
What is the SMILES notation for tetraethylazanium chloride?
The canonical SMILES for tetraethylazanium chloride is CC[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of tetraethylazanium chloride?
The InChIKey is YMBCJWGVCUEGHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.ClH/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 chloride?
tetraethylazanium chloride has a molecular weight of 165.71 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 chloride is sourced from PubChem (CID 5946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).