diheptyl(diphenyl)azanium iodide

C26H40IN — CID 69308025

IUPACdiheptyl(diphenyl)azanium iodide
SMILESCCCCCCC[N+](CCCCCCC)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C26H40N.HI/c1-3-5-7-9-17-23-27(24-18-10-8-6-4-2,25-19-13-11-14-20-25)26-21-15-12-16-22-26;/h11-16,19-22H,3-10,17-18,23-24H2,1-2H3;1H/q+1;/p-1
InChIKeyIYCPDJMEXFOJLK-UHFFFAOYSA-M
MW493.52 g/mol
LogP5.27
Rot. Bonds14

About diheptyl(diphenyl)azanium iodide

diheptyl(diphenyl)azanium iodide (PubChem CID 69308025) has the molecular formula C26H40IN and a molecular weight of 493.52 g/mol. Its IUPAC name is diheptyl(diphenyl)azanium iodide.

Molecular Properties

Compound Namediheptyl(diphenyl)azanium iodide
PubChem CID69308025
Molecular FormulaC26H40IN
Molecular Weight493.52 g/mol
Exact Mass493.22
IUPAC Namediheptyl(diphenyl)azanium iodide
SMILESCCCCCCC[N+](CCCCCCC)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C26H40N.HI/c1-3-5-7-9-17-23-27(24-18-10-8-6-4-2,25-19-13-11-14-20-25)26-21-15-12-16-22-26;/h11-16,19-22H,3-10,17-18,23-24H2,1-2H3;1H/q+1;/p-1
InChIKeyIYCPDJMEXFOJLK-UHFFFAOYSA-M
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 55.27
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

dihexyl(diphenyl)azanium iodide
CID 69305411
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
triphenyl(tetradecyl)azanium iodide
CID 69306289
methyl-phenyl-di(tridecyl)azanium
CID 90292596
decyl(triphenyl)azanium iodide
CID 69306188
diethyl-octyl-phenylazanium iodide
CID 175060834

Frequently Asked Questions

What is the IUPAC name of diheptyl(diphenyl)azanium iodide?
The IUPAC name of diheptyl(diphenyl)azanium iodide (CID 69308025) is diheptyl(diphenyl)azanium iodide.
What is the SMILES notation for diheptyl(diphenyl)azanium iodide?
The canonical SMILES for diheptyl(diphenyl)azanium iodide is CCCCCCC[N+](CCCCCCC)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of diheptyl(diphenyl)azanium iodide?
The InChIKey is IYCPDJMEXFOJLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H40N.HI/c1-3-5-7-9-17-23-27(24-18-10-8-6-4-2,25-19-13-11-14-20-25)26-21-15-12-16-22-26;/h11-16,19-22H,3-10,17-18,23-24H2,1-2H3;1H/q+1;/p-1.
What are the key properties of diheptyl(diphenyl)azanium iodide?
diheptyl(diphenyl)azanium iodide has a molecular weight of 493.52 g/mol, XLogP of 5.27, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diheptyl(diphenyl)azanium iodide is sourced from PubChem (CID 69308025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).