ethyl-octadecyl-diphenylazanium

C32H52N+ — CID 54523156

IUPACethyl-octadecyl-diphenylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H52N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-33(4-2,31-26-21-19-22-27-31)32-28-23-20-24-29-32/h19-24,26-29H,3-18,25,30H2,1-2H3/q+1
InChIKeyYRGPIVGJOADIFN-UHFFFAOYSA-N
MW450.78 g/mol
LogP10.61
Rot. Bonds20

About ethyl-octadecyl-diphenylazanium

ethyl-octadecyl-diphenylazanium (PubChem CID 54523156) has the molecular formula C32H52N+ and a molecular weight of 450.78 g/mol. Its IUPAC name is ethyl-octadecyl-diphenylazanium.

Molecular Properties

Compound Nameethyl-octadecyl-diphenylazanium
PubChem CID54523156
Molecular FormulaC32H52N+
Molecular Weight450.78 g/mol
Exact Mass450.41
IUPAC Nameethyl-octadecyl-diphenylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H52N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-33(4-2,31-26-21-19-22-27-31)32-28-23-20-24-29-32/h19-24,26-29H,3-18,25,30H2,1-2H3/q+1
InChIKeyYRGPIVGJOADIFN-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.78
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl-icosyl-diphenylazanium hydroxide
CID 70584575
dihexyl(diphenyl)azanium
CID 18362526
diheptyl(diphenyl)azanium iodide
CID 69308025
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
dihexyl(diphenyl)azanium iodide
CID 69305411
dioctyl(diphenyl)azanium bromide
CID 69327421
hexadecyl-diphenyl-propylazanium chloride
CID 70520322
methyl-phenyl-di(tridecyl)azanium
CID 90292596
diethyl-heptadecyl-phenylazanium
CID 163210934
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
diethyl-icosyl-phenylazanium bromide
CID 163210919
dibutyl(diphenyl)azanium chloride
CID 69306107

Frequently Asked Questions

What is the IUPAC name of ethyl-octadecyl-diphenylazanium?
The IUPAC name of ethyl-octadecyl-diphenylazanium (CID 54523156) is ethyl-octadecyl-diphenylazanium.
What is the SMILES notation for ethyl-octadecyl-diphenylazanium?
The canonical SMILES for ethyl-octadecyl-diphenylazanium is CCCCCCCCCCCCCCCCCC[N+](CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl-octadecyl-diphenylazanium?
The InChIKey is YRGPIVGJOADIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-33(4-2,31-26-21-19-22-27-31)32-28-23-20-24-29-32/h19-24,26-29H,3-18,25,30H2,1-2H3/q+1.
What are the key properties of ethyl-octadecyl-diphenylazanium?
ethyl-octadecyl-diphenylazanium has a molecular weight of 450.78 g/mol, XLogP of 10.61, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-octadecyl-diphenylazanium is sourced from PubChem (CID 54523156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).