diphenyl-di(propan-2-yl)azanium

C18H24N+ — CID 70556389

IUPACdiphenyl-di(propan-2-yl)azanium
SMILESCC(C)[N+](c1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C18H24N/c1-15(2)19(16(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/q+1
InChIKeyFDTBLNQHMOOYHR-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.14
Rot. Bonds4

About diphenyl-di(propan-2-yl)azanium

diphenyl-di(propan-2-yl)azanium (PubChem CID 70556389) has the molecular formula C18H24N+ and a molecular weight of 254.40 g/mol. Its IUPAC name is diphenyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Namediphenyl-di(propan-2-yl)azanium
PubChem CID70556389
Molecular FormulaC18H24N+
Molecular Weight254.40 g/mol
Exact Mass254.19
IUPAC Namediphenyl-di(propan-2-yl)azanium
SMILESCC(C)[N+](c1ccccc1)(c1ccccc1)C(C)C
InChIInChI=1S/C18H24N/c1-15(2)19(16(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/q+1
InChIKeyFDTBLNQHMOOYHR-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.14
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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Related Compounds

N-methyl-N-propan-2-ylbenzeneamine oxide
CID 15036075
dimethyl-phenyl-(1-phenylethyl)azanium hydroxide
CID 87491216
CID 134991224
CID 134991224
dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
CID 159297233
(S)-methyl-phenyl-propan-2-yl-propylazanium
CID 163299662
(R)-benzyl-methyl-phenyl-propan-2-ylazanium bromide
CID 163299651
(S)-methyl-phenyl-propan-2-yl-propylazanium iodide
CID 163299661
trimethyl(phenyl)azanium fluoride
CID 15787908
dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
(S)-methyl-phenyl-propan-2-yl-prop-2-enylazanium
CID 163299620
trimethyl(1-phenylethyl)azanium;hydroiodide
CID 126959602
N-methyl-N-(2-methylpropyl)benzeneamine oxide
CID 15036077

Frequently Asked Questions

What is the IUPAC name of diphenyl-di(propan-2-yl)azanium?
The IUPAC name of diphenyl-di(propan-2-yl)azanium (CID 70556389) is diphenyl-di(propan-2-yl)azanium.
What is the SMILES notation for diphenyl-di(propan-2-yl)azanium?
The canonical SMILES for diphenyl-di(propan-2-yl)azanium is CC(C)[N+](c1ccccc1)(c1ccccc1)C(C)C.
What is the InChIKey of diphenyl-di(propan-2-yl)azanium?
The InChIKey is FDTBLNQHMOOYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N/c1-15(2)19(16(3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/q+1.
What are the key properties of diphenyl-di(propan-2-yl)azanium?
diphenyl-di(propan-2-yl)azanium has a molecular weight of 254.40 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-di(propan-2-yl)azanium is sourced from PubChem (CID 70556389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).