tributyl(methyl)azanium tetrafluoroborate

C13H30BF4N — CID 11449059

IUPACtributyl(methyl)azanium tetrafluoroborate
SMILESCCCC[N+](C)(CCCC)CCCC.F[B-](F)(F)F
InChIInChI=1S/C13H30N.BF4/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3,4)5/h5-13H2,1-4H3;/q+1;-1
InChIKeyQZLWACNYEXKXKP-UHFFFAOYSA-N
MW287.19 g/mol
LogP5.13
Rot. Bonds9

About tributyl(methyl)azanium tetrafluoroborate

tributyl(methyl)azanium tetrafluoroborate (PubChem CID 11449059) has the molecular formula C13H30BF4N and a molecular weight of 287.19 g/mol. Its IUPAC name is tributyl(methyl)azanium tetrafluoroborate.

Molecular Properties

Compound Nametributyl(methyl)azanium tetrafluoroborate
PubChem CID11449059
Molecular FormulaC13H30BF4N
Molecular Weight287.19 g/mol
Exact Mass287.24
IUPAC Nametributyl(methyl)azanium tetrafluoroborate
SMILESCCCC[N+](C)(CCCC)CCCC.F[B-](F)(F)F
InChIInChI=1S/C13H30N.BF4/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3,4)5/h5-13H2,1-4H3;/q+1;-1
InChIKeyQZLWACNYEXKXKP-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.19
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl(methyl)azanium tetrafluoroborate?
The IUPAC name of tributyl(methyl)azanium tetrafluoroborate (CID 11449059) is tributyl(methyl)azanium tetrafluoroborate.
What is the SMILES notation for tributyl(methyl)azanium tetrafluoroborate?
The canonical SMILES for tributyl(methyl)azanium tetrafluoroborate is CCCC[N+](C)(CCCC)CCCC.F[B-](F)(F)F.
What is the InChIKey of tributyl(methyl)azanium tetrafluoroborate?
The InChIKey is QZLWACNYEXKXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N.BF4/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3,4)5/h5-13H2,1-4H3;/q+1;-1.
What are the key properties of tributyl(methyl)azanium tetrafluoroborate?
tributyl(methyl)azanium tetrafluoroborate has a molecular weight of 287.19 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(methyl)azanium tetrafluoroborate is sourced from PubChem (CID 11449059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).