diethyl-di(icosyl)azanium

C44H92N+ — CID 14009114

IUPACdiethyl-di(icosyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H92N/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(7-3,8-4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-44H2,1-4H3/q+1
InChIKeyUGBNNXSUUKVNSB-UHFFFAOYSA-N
MW635.23 g/mol
LogP15.93
Rot. Bonds40

About diethyl-di(icosyl)azanium

diethyl-di(icosyl)azanium (PubChem CID 14009114) has the molecular formula C44H92N+ and a molecular weight of 635.23 g/mol. Its IUPAC name is diethyl-di(icosyl)azanium.

Molecular Properties

Compound Namediethyl-di(icosyl)azanium
PubChem CID14009114
Molecular FormulaC44H92N+
Molecular Weight635.23 g/mol
Exact Mass634.72
IUPAC Namediethyl-di(icosyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H92N/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(7-3,8-4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-44H2,1-4H3/q+1
InChIKeyUGBNNXSUUKVNSB-UHFFFAOYSA-N
XLogP15.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds40
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.23
LogP ≤ 515.93
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(pentadecyl)azanium
CID 14009104
diethyl(dioctyl)azanium fluoride
CID 19602103
diethyl-heptyl-octylazanium bromide
CID 88763250
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
triethyl(tetradecyl)azanium iodide
CID 87777336

Frequently Asked Questions

What is the IUPAC name of diethyl-di(icosyl)azanium?
The IUPAC name of diethyl-di(icosyl)azanium (CID 14009114) is diethyl-di(icosyl)azanium.
What is the SMILES notation for diethyl-di(icosyl)azanium?
The canonical SMILES for diethyl-di(icosyl)azanium is CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of diethyl-di(icosyl)azanium?
The InChIKey is UGBNNXSUUKVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H92N/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(7-3,8-4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-44H2,1-4H3/q+1.
What are the key properties of diethyl-di(icosyl)azanium?
diethyl-di(icosyl)azanium has a molecular weight of 635.23 g/mol, XLogP of 15.93, 40 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-di(icosyl)azanium is sourced from PubChem (CID 14009114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).