tributyl(methyl)azanium bromide

C13H30BrN — CID 10062191

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

About tributyl(methyl)azanium bromide

tributyl(methyl)azanium bromide (PubChem CID 10062191) has the molecular formula C13H30BrN and a molecular weight of 280.29 g/mol. Its IUPAC name is tributyl(methyl)azanium bromide.

Molecular Properties

Compound Nametributyl(methyl)azanium bromide
PubChem CID10062191
Molecular FormulaC13H30BrN
Molecular Weight280.29 g/mol
Exact Mass279.16
IUPAC Nametributyl(methyl)azanium bromide
SMILESCCCC[N+](C)(CCCC)CCCC.[Br-]
InChIInChI=1S/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKeyDHAWHVVWUNNONG-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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl(methyl)azanium bromide?
The IUPAC name of tributyl(methyl)azanium bromide (CID 10062191) is tributyl(methyl)azanium bromide.
What is the SMILES notation for tributyl(methyl)azanium bromide?
The canonical SMILES for tributyl(methyl)azanium bromide is CCCC[N+](C)(CCCC)CCCC.[Br-].
What is the InChIKey of tributyl(methyl)azanium bromide?
The InChIKey is DHAWHVVWUNNONG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(methyl)azanium bromide?
tributyl(methyl)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 tributyl(methyl)azanium bromide is sourced from PubChem (CID 10062191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).