dihexyl(diphenyl)azanium

C24H36N+ — CID 18362526

IUPACdihexyl(diphenyl)azanium
SMILESCCCCCC[N+](CCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36N/c1-3-5-7-15-21-25(22-16-8-6-4-2,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3/q+1
InChIKeyRUYKYDQWAUTARP-UHFFFAOYSA-N
MW338.56 g/mol
LogP7.49
Rot. Bonds12

About dihexyl(diphenyl)azanium

dihexyl(diphenyl)azanium (PubChem CID 18362526) has the molecular formula C24H36N+ and a molecular weight of 338.56 g/mol. Its IUPAC name is dihexyl(diphenyl)azanium.

Molecular Properties

Compound Namedihexyl(diphenyl)azanium
PubChem CID18362526
Molecular FormulaC24H36N+
Molecular Weight338.56 g/mol
Exact Mass338.28
IUPAC Namedihexyl(diphenyl)azanium
SMILESCCCCCC[N+](CCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36N/c1-3-5-7-15-21-25(22-16-8-6-4-2,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3/q+1
InChIKeyRUYKYDQWAUTARP-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 57.49
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

dihexyl(diphenyl)azanium iodide
CID 69305411
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
diheptyl(diphenyl)azanium iodide
CID 69308025
dioctyl(diphenyl)azanium bromide
CID 69327421
hexadecyl-diphenyl-propylazanium chloride
CID 70520322
ethyl-octadecyl-diphenylazanium
CID 54523156
ethyl-icosyl-diphenylazanium hydroxide
CID 70584575
dibutyl(diphenyl)azanium chloride
CID 69306107
methyl-phenyl-di(tridecyl)azanium
CID 90292596
methyl-dioctadecyl-phenylazanium chloride
CID 157489990
triphenyl(undecyl)azanium
CID 69395784
diethyl-heptadecyl-phenylazanium
CID 163210934

Frequently Asked Questions

What is the IUPAC name of dihexyl(diphenyl)azanium?
The IUPAC name of dihexyl(diphenyl)azanium (CID 18362526) is dihexyl(diphenyl)azanium.
What is the SMILES notation for dihexyl(diphenyl)azanium?
The canonical SMILES for dihexyl(diphenyl)azanium is CCCCCC[N+](CCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dihexyl(diphenyl)azanium?
The InChIKey is RUYKYDQWAUTARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N/c1-3-5-7-15-21-25(22-16-8-6-4-2,23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3/q+1.
What are the key properties of dihexyl(diphenyl)azanium?
dihexyl(diphenyl)azanium has a molecular weight of 338.56 g/mol, XLogP of 7.49, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(diphenyl)azanium is sourced from PubChem (CID 18362526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).