dihexyl(diphenyl)azanium iodide

C24H36IN — CID 69305411

IUPACdihexyl(diphenyl)azanium iodide
SMILESCCCCCC[N+](CCCCCC)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C24H36N.HI/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;1H/q+1;/p-1
InChIKeyAYELXRSYIIETMC-UHFFFAOYSA-M
MW465.46 g/mol
LogP4.49
Rot. Bonds12

About dihexyl(diphenyl)azanium iodide

dihexyl(diphenyl)azanium iodide (PubChem CID 69305411) has the molecular formula C24H36IN and a molecular weight of 465.46 g/mol. Its IUPAC name is dihexyl(diphenyl)azanium iodide.

Molecular Properties

Compound Namedihexyl(diphenyl)azanium iodide
PubChem CID69305411
Molecular FormulaC24H36IN
Molecular Weight465.46 g/mol
Exact Mass465.19
IUPAC Namedihexyl(diphenyl)azanium iodide
SMILESCCCCCC[N+](CCCCCC)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C24H36N.HI/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;1H/q+1;/p-1
InChIKeyAYELXRSYIIETMC-UHFFFAOYSA-M
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diheptyl(diphenyl)azanium iodide
CID 69308025
dihexyl(diphenyl)azanium
CID 18362526
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
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
decyl(triphenyl)azanium iodide
CID 69306188
triphenyl(tetradecyl)azanium iodide
CID 69306289
diethyl-octyl-phenylazanium iodide
CID 175060834

Frequently Asked Questions

What is the IUPAC name of dihexyl(diphenyl)azanium iodide?
The IUPAC name of dihexyl(diphenyl)azanium iodide (CID 69305411) is dihexyl(diphenyl)azanium iodide.
What is the SMILES notation for dihexyl(diphenyl)azanium iodide?
The canonical SMILES for dihexyl(diphenyl)azanium iodide is CCCCCC[N+](CCCCCC)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of dihexyl(diphenyl)azanium iodide?
The InChIKey is AYELXRSYIIETMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H36N.HI/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;1H/q+1;/p-1.
What are the key properties of dihexyl(diphenyl)azanium iodide?
dihexyl(diphenyl)azanium iodide has a molecular weight of 465.46 g/mol, XLogP of 4.49, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(diphenyl)azanium iodide is sourced from PubChem (CID 69305411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).