decyl(trimethyl)azanium bromide

C13H30BrN — CID 16388

IUPACdecyl(trimethyl)azanium bromide
SMILESCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKeyPLMFYJJFUUUCRZ-UHFFFAOYSA-M
MW280.29 g/mol
LogP0.84
Rot. Bonds9

About decyl(trimethyl)azanium bromide

decyl(trimethyl)azanium bromide (PubChem CID 16388) has the molecular formula C13H30BrN and a molecular weight of 280.29 g/mol. Its IUPAC name is decyl(trimethyl)azanium bromide.

Molecular Properties

Compound Namedecyl(trimethyl)azanium bromide
PubChem CID16388
Molecular FormulaC13H30BrN
Molecular Weight280.29 g/mol
Exact Mass279.16
IUPAC Namedecyl(trimethyl)azanium bromide
SMILESCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKeyPLMFYJJFUUUCRZ-UHFFFAOYSA-M
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.84
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

Hexadecyltrimethylammonium Bromide
CID 5974
Decamethonium
CID 2968
Decamethonium dibromide
CID 10921
Hexadecyltrimethylammonium chloride
CID 8154
Hexamethonium Bromide
CID 5938
Dodecyltrimethylammonium chloride
CID 8152
Stearyltrimethylammonium chloride
CID 8155
Dimethyloctadecylamine
CID 15365
Cetyltrimethylammonium
CID 2681
Dodecyltrimethylammonium bromide
CID 14249
Tetradecyltrimethylammonium bromide
CID 14250
Tetradecyltrimethylammonium chloride
CID 20708

Frequently Asked Questions

What is the IUPAC name of decyl(trimethyl)azanium bromide?
The IUPAC name of decyl(trimethyl)azanium bromide (CID 16388) is decyl(trimethyl)azanium bromide.
What is the SMILES notation for decyl(trimethyl)azanium bromide?
The canonical SMILES for decyl(trimethyl)azanium bromide is CCCCCCCCCC[N+](C)(C)C.[Br-].
What is the InChIKey of decyl(trimethyl)azanium bromide?
The InChIKey is PLMFYJJFUUUCRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1.
What are the key properties of decyl(trimethyl)azanium bromide?
decyl(trimethyl)azanium bromide has a molecular weight of 280.29 g/mol, XLogP of 0.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(trimethyl)azanium bromide is sourced from PubChem (CID 16388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).