diethyl-di(pentadecyl)azanium

C34H72N+ — CID 14009104

IUPACdiethyl-di(pentadecyl)azanium
SMILESCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H72N/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35(7-3,8-4)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-34H2,1-4H3/q+1
InChIKeyRYGUKPFYRSPXSB-UHFFFAOYSA-N
MW494.96 g/mol
LogP12.03
Rot. Bonds30

About diethyl-di(pentadecyl)azanium

diethyl-di(pentadecyl)azanium (PubChem CID 14009104) has the molecular formula C34H72N+ and a molecular weight of 494.96 g/mol. Its IUPAC name is diethyl-di(pentadecyl)azanium.

Molecular Properties

Compound Namediethyl-di(pentadecyl)azanium
PubChem CID14009104
Molecular FormulaC34H72N+
Molecular Weight494.96 g/mol
Exact Mass494.57
IUPAC Namediethyl-di(pentadecyl)azanium
SMILESCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H72N/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35(7-3,8-4)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-34H2,1-4H3/q+1
InChIKeyRYGUKPFYRSPXSB-UHFFFAOYSA-N
XLogP12.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.96
LogP ≤ 512.03
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

dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(icosyl)azanium
CID 14009114
diethyl-heptyl-octylazanium bromide
CID 88763250
diethyl(dioctyl)azanium fluoride
CID 19602103
didodecyl(diethyl)azanium hydroxide
CID 87834319
diethyl(dipentyl)azanium bromide
CID 87777355
triethyl(tetradecyl)azanium
CID 28911
didecyl-ethyl-octylazanium
CID 172694602
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetracosyl)azanium bromide
CID 153322859
docosyl(triethyl)azanium chloride
CID 42638705

Frequently Asked Questions

What is the IUPAC name of diethyl-di(pentadecyl)azanium?
The IUPAC name of diethyl-di(pentadecyl)azanium (CID 14009104) is diethyl-di(pentadecyl)azanium.
What is the SMILES notation for diethyl-di(pentadecyl)azanium?
The canonical SMILES for diethyl-di(pentadecyl)azanium is CCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCC.
What is the InChIKey of diethyl-di(pentadecyl)azanium?
The InChIKey is RYGUKPFYRSPXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72N/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35(7-3,8-4)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-34H2,1-4H3/q+1.
What are the key properties of diethyl-di(pentadecyl)azanium?
diethyl-di(pentadecyl)azanium has a molecular weight of 494.96 g/mol, XLogP of 12.03, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-di(pentadecyl)azanium is sourced from PubChem (CID 14009104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).