tributyl(dodecyl)azanium tetrafluoroborate

C24H52BF4N — CID 141411504

IUPACtributyl(dodecyl)azanium tetrafluoroborate
SMILESCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F
InChIInChI=1S/C24H52N.BF4/c1-5-9-13-14-15-16-17-18-19-20-24-25(21-10-6-2,22-11-7-3)23-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;/q+1;-1
InChIKeyMAGSJPVQBLLKHU-UHFFFAOYSA-N
MW441.49 g/mol
LogP9.42
Rot. Bonds20

About tributyl(dodecyl)azanium tetrafluoroborate

tributyl(dodecyl)azanium tetrafluoroborate (PubChem CID 141411504) has the molecular formula C24H52BF4N and a molecular weight of 441.49 g/mol. Its IUPAC name is tributyl(dodecyl)azanium tetrafluoroborate.

Molecular Properties

Compound Nametributyl(dodecyl)azanium tetrafluoroborate
PubChem CID141411504
Molecular FormulaC24H52BF4N
Molecular Weight441.49 g/mol
Exact Mass441.41
IUPAC Nametributyl(dodecyl)azanium tetrafluoroborate
SMILESCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F
InChIInChI=1S/C24H52N.BF4/c1-5-9-13-14-15-16-17-18-19-20-24-25(21-10-6-2,22-11-7-3)23-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;/q+1;-1
InChIKeyMAGSJPVQBLLKHU-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;tetrabutylazanium;tritetrafluoroborate
CID 173499905
dibutyl(diheptyl)azanium
CID 87534229
tributyl(hexadecyl)azanium
CID 3083031
tributyl(heptyl)azanium
CID 5003685
tributyl(triacontyl)azanium
CID 153322884
tridodecyl(hydroxymethyl)azanium tetrafluoroborate
CID 141323038
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
tributyl(dodecyl)azanium bromide
CID 19858509
tributyl(octacosyl)azanium bromide
CID 153322850
dibutyl(dihexadecyl)azanium chloride
CID 87778770
dibutyl(dihexadecyl)azanium bromide
CID 87776722

Frequently Asked Questions

What is the IUPAC name of tributyl(dodecyl)azanium tetrafluoroborate?
The IUPAC name of tributyl(dodecyl)azanium tetrafluoroborate (CID 141411504) is tributyl(dodecyl)azanium tetrafluoroborate.
What is the SMILES notation for tributyl(dodecyl)azanium tetrafluoroborate?
The canonical SMILES for tributyl(dodecyl)azanium tetrafluoroborate is CCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.
What is the InChIKey of tributyl(dodecyl)azanium tetrafluoroborate?
The InChIKey is MAGSJPVQBLLKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N.BF4/c1-5-9-13-14-15-16-17-18-19-20-24-25(21-10-6-2,22-11-7-3)23-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;/q+1;-1.
What are the key properties of tributyl(dodecyl)azanium tetrafluoroborate?
tributyl(dodecyl)azanium tetrafluoroborate has a molecular weight of 441.49 g/mol, XLogP of 9.42, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(dodecyl)azanium tetrafluoroborate is sourced from PubChem (CID 141411504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).