diethyl(dipentyl)azanium bromide

C14H32BrN — CID 87777355

IUPACdiethyl(dipentyl)azanium bromide
SMILESCCCCC[N+](CC)(CC)CCCCC.[Br-]
InChIInChI=1S/C14H32N.BrH/c1-5-9-11-13-15(7-3,8-4)14-12-10-6-2;/h5-14H2,1-4H3;1H/q+1;/p-1
InChIKeyCWAGOYXAEAMVBM-UHFFFAOYSA-M
MW294.32 g/mol
LogP1.23
Rot. Bonds10

About diethyl(dipentyl)azanium bromide

diethyl(dipentyl)azanium bromide (PubChem CID 87777355) has the molecular formula C14H32BrN and a molecular weight of 294.32 g/mol. Its IUPAC name is diethyl(dipentyl)azanium bromide.

Molecular Properties

Compound Namediethyl(dipentyl)azanium bromide
PubChem CID87777355
Molecular FormulaC14H32BrN
Molecular Weight294.32 g/mol
Exact Mass293.17
IUPAC Namediethyl(dipentyl)azanium bromide
SMILESCCCCC[N+](CC)(CC)CCCCC.[Br-]
InChIInChI=1S/C14H32N.BrH/c1-5-9-11-13-15(7-3,8-4)14-12-10-6-2;/h5-14H2,1-4H3;1H/q+1;/p-1
InChIKeyCWAGOYXAEAMVBM-UHFFFAOYSA-M
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.23
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-heptyl-octylazanium bromide
CID 88763250
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(dipentyl)azanium bromide?
The IUPAC name of diethyl(dipentyl)azanium bromide (CID 87777355) is diethyl(dipentyl)azanium bromide.
What is the SMILES notation for diethyl(dipentyl)azanium bromide?
The canonical SMILES for diethyl(dipentyl)azanium bromide is CCCCC[N+](CC)(CC)CCCCC.[Br-].
What is the InChIKey of diethyl(dipentyl)azanium bromide?
The InChIKey is CWAGOYXAEAMVBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32N.BrH/c1-5-9-11-13-15(7-3,8-4)14-12-10-6-2;/h5-14H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl(dipentyl)azanium bromide?
diethyl(dipentyl)azanium bromide has a molecular weight of 294.32 g/mol, XLogP of 1.23, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dipentyl)azanium bromide is sourced from PubChem (CID 87777355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).