triethyl(tetracosyl)azanium bromide

C30H64BrN — CID 153322859

IUPACtriethyl(tetracosyl)azanium bromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C30H64N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(6-2,7-3)8-4;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeySJJRBOCKCQDGFC-UHFFFAOYSA-M
MW518.75 g/mol
LogP7.47
Rot. Bonds26

About triethyl(tetracosyl)azanium bromide

triethyl(tetracosyl)azanium bromide (PubChem CID 153322859) has the molecular formula C30H64BrN and a molecular weight of 518.75 g/mol. Its IUPAC name is triethyl(tetracosyl)azanium bromide.

Molecular Properties

Compound Nametriethyl(tetracosyl)azanium bromide
PubChem CID153322859
Molecular FormulaC30H64BrN
Molecular Weight518.75 g/mol
Exact Mass517.42
IUPAC Nametriethyl(tetracosyl)azanium bromide
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C30H64N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(6-2,7-3)8-4;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeySJJRBOCKCQDGFC-UHFFFAOYSA-M
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.75
LogP ≤ 57.47
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

triethyl(tridecyl)azanium bromide
CID 14647396
docosyl(triethyl)azanium bromide
CID 71358281
triethyl(tetradecyl)azanium
CID 28911
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048
diethyl-heptyl-octylazanium bromide
CID 88763250
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(icosyl)azanium chloride
CID 141198165
triethyl(octyl)azanium hydroxide
CID 23496315
azane;dodecyl(triethyl)azanium;hydrochloride
CID 174746836
didecyl-ethyl-octylazanium
CID 172694602

Frequently Asked Questions

What is the IUPAC name of triethyl(tetracosyl)azanium bromide?
The IUPAC name of triethyl(tetracosyl)azanium bromide (CID 153322859) is triethyl(tetracosyl)azanium bromide.
What is the SMILES notation for triethyl(tetracosyl)azanium bromide?
The canonical SMILES for triethyl(tetracosyl)azanium bromide is CCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of triethyl(tetracosyl)azanium bromide?
The InChIKey is SJJRBOCKCQDGFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H64N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(6-2,7-3)8-4;/h5-30H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(tetracosyl)azanium bromide?
triethyl(tetracosyl)azanium bromide has a molecular weight of 518.75 g/mol, XLogP of 7.47, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(tetracosyl)azanium bromide is sourced from PubChem (CID 153322859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).