didecyl-ethyl-octylazanium

C30H64N+ — CID 172694602

IUPACdidecyl-ethyl-octylazanium
SMILESCCCCCCCCCC[N+](CC)(CCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H64N/c1-5-9-12-15-18-20-23-26-29-31(8-4,28-25-22-17-14-11-7-3)30-27-24-21-19-16-13-10-6-2/h5-30H2,1-4H3/q+1
InChIKeyCDPDEWQZURUGJH-UHFFFAOYSA-N
MW438.85 g/mol
LogP10.47
Rot. Bonds26

About didecyl-ethyl-octylazanium

didecyl-ethyl-octylazanium (PubChem CID 172694602) has the molecular formula C30H64N+ and a molecular weight of 438.85 g/mol. Its IUPAC name is didecyl-ethyl-octylazanium.

Molecular Properties

Compound Namedidecyl-ethyl-octylazanium
PubChem CID172694602
Molecular FormulaC30H64N+
Molecular Weight438.85 g/mol
Exact Mass438.50
IUPAC Namedidecyl-ethyl-octylazanium
SMILESCCCCCCCCCC[N+](CC)(CCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H64N/c1-5-9-12-15-18-20-23-26-29-31(8-4,28-25-22-17-14-11-7-3)30-27-24-21-19-16-13-10-6-2/h5-30H2,1-4H3/q+1
InChIKeyCDPDEWQZURUGJH-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.85
LogP ≤ 510.47
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

ethyl(trihexadecyl)azanium chloride
CID 19896250
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
triethyl(tetradecyl)azanium
CID 28911
diethyl(dioctyl)azanium fluoride
CID 19602103
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(octyl)azanium hydroxide
CID 23496315
docosyl(triethyl)azanium chloride
CID 42638705
diethyl-heptyl-octylazanium bromide
CID 88763250

Frequently Asked Questions

What is the IUPAC name of didecyl-ethyl-octylazanium?
The IUPAC name of didecyl-ethyl-octylazanium (CID 172694602) is didecyl-ethyl-octylazanium.
What is the SMILES notation for didecyl-ethyl-octylazanium?
The canonical SMILES for didecyl-ethyl-octylazanium is CCCCCCCCCC[N+](CC)(CCCCCCCC)CCCCCCCCCC.
What is the InChIKey of didecyl-ethyl-octylazanium?
The InChIKey is CDPDEWQZURUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N/c1-5-9-12-15-18-20-23-26-29-31(8-4,28-25-22-17-14-11-7-3)30-27-24-21-19-16-13-10-6-2/h5-30H2,1-4H3/q+1.
What are the key properties of didecyl-ethyl-octylazanium?
didecyl-ethyl-octylazanium has a molecular weight of 438.85 g/mol, XLogP of 10.47, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-ethyl-octylazanium is sourced from PubChem (CID 172694602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).