tetrabutylazanium permanganate

C16H36MnNO4 — CID 11760202

IUPACtetrabutylazanium permanganate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=[Mn](=O)(=O)[O-]
InChIInChI=1S/C16H36N.Mn.4O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;;;;/q+1;;;;;-1
InChIKeyDENUNRANJGOAHR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.46
Rot. Bonds12

About tetrabutylazanium permanganate

tetrabutylazanium permanganate (PubChem CID 11760202) has the molecular formula C16H36MnNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is tetrabutylazanium permanganate.

Molecular Properties

Compound Nametetrabutylazanium permanganate
PubChem CID11760202
Molecular FormulaC16H36MnNO4
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC Nametetrabutylazanium permanganate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=[Mn](=O)(=O)[O-]
InChIInChI=1S/C16H36N.Mn.4O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;;;;/q+1;;;;;-1
InChIKeyDENUNRANJGOAHR-UHFFFAOYSA-N
XLogP3.46
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.46
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 tetrabutylazanium permanganate?
The IUPAC name of tetrabutylazanium permanganate (CID 11760202) is tetrabutylazanium permanganate.
What is the SMILES notation for tetrabutylazanium permanganate?
The canonical SMILES for tetrabutylazanium permanganate is CCCC[N+](CCCC)(CCCC)CCCC.O=[Mn](=O)(=O)[O-].
What is the InChIKey of tetrabutylazanium permanganate?
The InChIKey is DENUNRANJGOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.Mn.4O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;;;;/q+1;;;;;-1.
What are the key properties of tetrabutylazanium permanganate?
tetrabutylazanium permanganate has a molecular weight of 361.41 g/mol, XLogP of 3.46, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium permanganate is sourced from PubChem (CID 11760202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).