diethyl-heptyl-octylazanium bromide

C19H42BrN — CID 88763250

IUPACdiethyl-heptyl-octylazanium bromide
SMILESCCCCCCCC[N+](CC)(CC)CCCCCCC.[Br-]
InChIInChI=1S/C19H42N.BrH/c1-5-9-11-13-15-17-19-20(7-3,8-4)18-16-14-12-10-6-2;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyOPVGGTYIEAQXBP-UHFFFAOYSA-M
MW364.46 g/mol
LogP3.18
Rot. Bonds15

About diethyl-heptyl-octylazanium bromide

diethyl-heptyl-octylazanium bromide (PubChem CID 88763250) has the molecular formula C19H42BrN and a molecular weight of 364.46 g/mol. Its IUPAC name is diethyl-heptyl-octylazanium bromide.

Molecular Properties

Compound Namediethyl-heptyl-octylazanium bromide
PubChem CID88763250
Molecular FormulaC19H42BrN
Molecular Weight364.46 g/mol
Exact Mass363.25
IUPAC Namediethyl-heptyl-octylazanium bromide
SMILESCCCCCCCC[N+](CC)(CC)CCCCCCC.[Br-]
InChIInChI=1S/C19H42N.BrH/c1-5-9-11-13-15-17-19-20(7-3,8-4)18-16-14-12-10-6-2;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyOPVGGTYIEAQXBP-UHFFFAOYSA-M
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.18
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

diethyl(dipentyl)azanium bromide
CID 87777355
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
diethyl(dioctyl)azanium fluoride
CID 19602103
triethyl(tetracosyl)azanium bromide
CID 153322859
didodecyl(diethyl)azanium hydroxide
CID 87834319
docosyl(triethyl)azanium bromide
CID 71358281
triethyl(tridecyl)azanium bromide
CID 14647396
triethyl(tetradecyl)azanium
CID 28911
didecyl-ethyl-octylazanium
CID 172694602
trihexyl-[10-(trihexylazaniumyl)decyl]azanium dibromide
CID 86139253

Frequently Asked Questions

What is the IUPAC name of diethyl-heptyl-octylazanium bromide?
The IUPAC name of diethyl-heptyl-octylazanium bromide (CID 88763250) is diethyl-heptyl-octylazanium bromide.
What is the SMILES notation for diethyl-heptyl-octylazanium bromide?
The canonical SMILES for diethyl-heptyl-octylazanium bromide is CCCCCCCC[N+](CC)(CC)CCCCCCC.[Br-].
What is the InChIKey of diethyl-heptyl-octylazanium bromide?
The InChIKey is OPVGGTYIEAQXBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42N.BrH/c1-5-9-11-13-15-17-19-20(7-3,8-4)18-16-14-12-10-6-2;/h5-19H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl-heptyl-octylazanium bromide?
diethyl-heptyl-octylazanium bromide has a molecular weight of 364.46 g/mol, XLogP of 3.18, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptyl-octylazanium bromide is sourced from PubChem (CID 88763250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).