dimethyl(diphenyl)azanium

C14H16N+ — CID 12867384

IUPACdimethyl(diphenyl)azanium
SMILESC[N+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3/q+1
InChIKeyMXTMXRYBYWOAGX-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.59
Rot. Bonds2

About dimethyl(diphenyl)azanium

dimethyl(diphenyl)azanium (PubChem CID 12867384) has the molecular formula C14H16N+ and a molecular weight of 198.29 g/mol. Its IUPAC name is dimethyl(diphenyl)azanium.

Molecular Properties

Compound Namedimethyl(diphenyl)azanium
PubChem CID12867384
Molecular FormulaC14H16N+
Molecular Weight198.29 g/mol
Exact Mass198.13
IUPAC Namedimethyl(diphenyl)azanium
SMILESC[N+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3/q+1
InChIKeyMXTMXRYBYWOAGX-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.59
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 dimethyl(diphenyl)azanium?
The IUPAC name of dimethyl(diphenyl)azanium (CID 12867384) is dimethyl(diphenyl)azanium.
What is the SMILES notation for dimethyl(diphenyl)azanium?
The canonical SMILES for dimethyl(diphenyl)azanium is C[N+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl(diphenyl)azanium?
The InChIKey is MXTMXRYBYWOAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3/q+1.
What are the key properties of dimethyl(diphenyl)azanium?
dimethyl(diphenyl)azanium has a molecular weight of 198.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(diphenyl)azanium is sourced from PubChem (CID 12867384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).