tetraethylazanium permanganate

C8H20MnNO4 — CID 11218887

IUPACtetraethylazanium permanganate
SMILESCC[N+](CC)(CC)CC.O=[Mn](=O)(=O)[O-]
InChIInChI=1S/C8H20N.Mn.4O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;;;;;/q+1;;;;;-1
InChIKeyMLBQFUIYMKCSPW-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.33
Rot. Bonds4

About tetraethylazanium permanganate

tetraethylazanium permanganate (PubChem CID 11218887) has the molecular formula C8H20MnNO4 and a molecular weight of 249.19 g/mol. Its IUPAC name is tetraethylazanium permanganate.

Molecular Properties

Compound Nametetraethylazanium permanganate
PubChem CID11218887
Molecular FormulaC8H20MnNO4
Molecular Weight249.19 g/mol
Exact Mass249.08
IUPAC Nametetraethylazanium permanganate
SMILESCC[N+](CC)(CC)CC.O=[Mn](=O)(=O)[O-]
InChIInChI=1S/C8H20N.Mn.4O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;;;;;/q+1;;;;;-1
InChIKeyMLBQFUIYMKCSPW-UHFFFAOYSA-N
XLogP0.33
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 permanganate?
The IUPAC name of tetraethylazanium permanganate (CID 11218887) is tetraethylazanium permanganate.
What is the SMILES notation for tetraethylazanium permanganate?
The canonical SMILES for tetraethylazanium permanganate is CC[N+](CC)(CC)CC.O=[Mn](=O)(=O)[O-].
What is the InChIKey of tetraethylazanium permanganate?
The InChIKey is MLBQFUIYMKCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.Mn.4O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;;;;;/q+1;;;;;-1.
What are the key properties of tetraethylazanium permanganate?
tetraethylazanium permanganate has a molecular weight of 249.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium permanganate is sourced from PubChem (CID 11218887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).