trimethyl(phenyl)azanium

C9H14N+ — CID 15914

IUPACtrimethyl(phenyl)azanium
SMILESC[N+](C)(C)c1ccccc1
InChIInChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyZNEOHLHCKGUAEB-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.88
Rot. Bonds1

About trimethyl(phenyl)azanium

trimethyl(phenyl)azanium (PubChem CID 15914) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is trimethyl(phenyl)azanium.

Molecular Properties

Compound Nametrimethyl(phenyl)azanium
PubChem CID15914
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Nametrimethyl(phenyl)azanium
SMILESC[N+](C)(C)c1ccccc1
InChIInChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyZNEOHLHCKGUAEB-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.88
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 trimethyl(phenyl)azanium?
The IUPAC name of trimethyl(phenyl)azanium (CID 15914) is trimethyl(phenyl)azanium.
What is the SMILES notation for trimethyl(phenyl)azanium?
The canonical SMILES for trimethyl(phenyl)azanium is C[N+](C)(C)c1ccccc1.
What is the InChIKey of trimethyl(phenyl)azanium?
The InChIKey is ZNEOHLHCKGUAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1.
What are the key properties of trimethyl(phenyl)azanium?
trimethyl(phenyl)azanium has a molecular weight of 136.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(phenyl)azanium is sourced from PubChem (CID 15914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).