trimethyl(phenyl)azanium permanganate

C9H14MnNO4 — CID 134811481

IUPACtrimethyl(phenyl)azanium permanganate
SMILESC[N+](C)(C)c1ccccc1.O=[Mn](=O)(=O)[O-]
InChIInChI=1S/C9H14N.Mn.4O/c1-10(2,3)9-7-5-4-6-8-9;;;;;/h4-8H,1-3H3;;;;;/q+1;;;;;-1
InChIKeyBFCLATSLZFVDHH-UHFFFAOYSA-N
MW255.15 g/mol
LogP0.34
Rot. Bonds1

About trimethyl(phenyl)azanium permanganate

trimethyl(phenyl)azanium permanganate (PubChem CID 134811481) has the molecular formula C9H14MnNO4 and a molecular weight of 255.15 g/mol. Its IUPAC name is trimethyl(phenyl)azanium permanganate.

Molecular Properties

Compound Nametrimethyl(phenyl)azanium permanganate
PubChem CID134811481
Molecular FormulaC9H14MnNO4
Molecular Weight255.15 g/mol
Exact Mass255.03
IUPAC Nametrimethyl(phenyl)azanium permanganate
SMILESC[N+](C)(C)c1ccccc1.O=[Mn](=O)(=O)[O-]
InChIInChI=1S/C9H14N.Mn.4O/c1-10(2,3)9-7-5-4-6-8-9;;;;;/h4-8H,1-3H3;;;;;/q+1;;;;;-1
InChIKeyBFCLATSLZFVDHH-UHFFFAOYSA-N
XLogP0.34
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 50.34
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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Related Compounds

dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
CID 15787908
oxalate;bis(trimethyl(phenyl)azanium)
CID 66900184
ethanolate;trimethyl(phenyl)azanium
CID 12512092
fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
CID 66672523
propanoate;trimethyl(phenyl)azanium
CID 70571170
chloroalumane;trimethyl(phenyl)azanium;chloride
CID 173074857
azane;trimethyl(phenyl)azanium;hexafluorophosphate
CID 175267450
prop-2-enoate;trimethyl(phenyl)azanium
CID 126506580
tetraphenylboranuide;trimethyl(phenyl)azanium
CID 12504234
carbanide;bis((18F)fluorobenzene);methylazanide;trimethyl(phenyl)azanium;tris(yttrium)
CID 159524097
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382

Frequently Asked Questions

What is the IUPAC name of trimethyl(phenyl)azanium permanganate?
The IUPAC name of trimethyl(phenyl)azanium permanganate (CID 134811481) is trimethyl(phenyl)azanium permanganate.
What is the SMILES notation for trimethyl(phenyl)azanium permanganate?
The canonical SMILES for trimethyl(phenyl)azanium permanganate is C[N+](C)(C)c1ccccc1.O=[Mn](=O)(=O)[O-].
What is the InChIKey of trimethyl(phenyl)azanium permanganate?
The InChIKey is BFCLATSLZFVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.Mn.4O/c1-10(2,3)9-7-5-4-6-8-9;;;;;/h4-8H,1-3H3;;;;;/q+1;;;;;-1.
What are the key properties of trimethyl(phenyl)azanium permanganate?
trimethyl(phenyl)azanium permanganate has a molecular weight of 255.15 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(phenyl)azanium permanganate is sourced from PubChem (CID 134811481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).