dodecyl-ethyl-methylazanium bromide

C15H34BrN — CID 87851424

IUPACdodecyl-ethyl-methylazanium bromide
SMILESCCCCCCCCCCCC[NH+](C)CC.[Br-]
InChIInChI=1S/C15H33N.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;/h4-15H2,1-3H3;1H
InChIKeyQXTIPIWDPWDDQJ-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.45
Rot. Bonds12

About dodecyl-ethyl-methylazanium bromide

dodecyl-ethyl-methylazanium bromide (PubChem CID 87851424) has the molecular formula C15H34BrN and a molecular weight of 308.35 g/mol. Its IUPAC name is dodecyl-ethyl-methylazanium bromide.

Molecular Properties

Compound Namedodecyl-ethyl-methylazanium bromide
PubChem CID87851424
Molecular FormulaC15H34BrN
Molecular Weight308.35 g/mol
Exact Mass307.19
IUPAC Namedodecyl-ethyl-methylazanium bromide
SMILESCCCCCCCCCCCC[NH+](C)CC.[Br-]
InChIInChI=1S/C15H33N.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;/h4-15H2,1-3H3;1H
InChIKeyQXTIPIWDPWDDQJ-UHFFFAOYSA-N
XLogP0.45
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl-hexacosyl-methylazanium chloride
CID 87596133
methyl-octyl-pentylazanium bromide
CID 139956021
heptyl-hexyl-methylazanium bromide
CID 139955900
docosyl-methyl-tetradecylazanium chloride
CID 141288943
methyl-di(undecyl)azanium iodide
CID 139956406
2-hydroxyethyl-methyl-tetradecylazanium bromide
CID 134159623
ethyl-methyl-tetradecylazanium;octadecanoate
CID 134501498
dimethyl(tridecyl)azanium bromide
CID 87747637
dimethyl(octacosyl)azanium bromide
CID 140977947
methyl(dioctadecyl)azanium chlorite
CID 87492098
trihexylazanium bromide
CID 54105866
2-chloroethyl-methyl-octadecylazanium chloride
CID 86722748

Frequently Asked Questions

What is the IUPAC name of dodecyl-ethyl-methylazanium bromide?
The IUPAC name of dodecyl-ethyl-methylazanium bromide (CID 87851424) is dodecyl-ethyl-methylazanium bromide.
What is the SMILES notation for dodecyl-ethyl-methylazanium bromide?
The canonical SMILES for dodecyl-ethyl-methylazanium bromide is CCCCCCCCCCCC[NH+](C)CC.[Br-].
What is the InChIKey of dodecyl-ethyl-methylazanium bromide?
The InChIKey is QXTIPIWDPWDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;/h4-15H2,1-3H3;1H.
What are the key properties of dodecyl-ethyl-methylazanium bromide?
dodecyl-ethyl-methylazanium bromide has a molecular weight of 308.35 g/mol, XLogP of 0.45, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-ethyl-methylazanium bromide is sourced from PubChem (CID 87851424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).