trimethyl(tetradecyl)azanium tetrafluoroborate

C17H38BF4N — CID 10871627

IUPACtrimethyl(tetradecyl)azanium tetrafluoroborate
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C17H38N.BF4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;2-1(3,4)5/h5-17H2,1-4H3;/q+1;-1
InChIKeyUHGQNMQRXYQUSZ-UHFFFAOYSA-N
MW343.30 g/mol
LogP6.69
Rot. Bonds13

About trimethyl(tetradecyl)azanium tetrafluoroborate

trimethyl(tetradecyl)azanium tetrafluoroborate (PubChem CID 10871627) has the molecular formula C17H38BF4N and a molecular weight of 343.30 g/mol. Its IUPAC name is trimethyl(tetradecyl)azanium tetrafluoroborate.

Molecular Properties

Compound Nametrimethyl(tetradecyl)azanium tetrafluoroborate
PubChem CID10871627
Molecular FormulaC17H38BF4N
Molecular Weight343.30 g/mol
Exact Mass343.30
IUPAC Nametrimethyl(tetradecyl)azanium tetrafluoroborate
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C17H38N.BF4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;2-1(3,4)5/h5-17H2,1-4H3;/q+1;-1
InChIKeyUHGQNMQRXYQUSZ-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.30
LogP ≤ 56.69
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

azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate
CID 174881338
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567

Frequently Asked Questions

What is the IUPAC name of trimethyl(tetradecyl)azanium tetrafluoroborate?
The IUPAC name of trimethyl(tetradecyl)azanium tetrafluoroborate (CID 10871627) is trimethyl(tetradecyl)azanium tetrafluoroborate.
What is the SMILES notation for trimethyl(tetradecyl)azanium tetrafluoroborate?
The canonical SMILES for trimethyl(tetradecyl)azanium tetrafluoroborate is CCCCCCCCCCCCCC[N+](C)(C)C.F[B-](F)(F)F.
What is the InChIKey of trimethyl(tetradecyl)azanium tetrafluoroborate?
The InChIKey is UHGQNMQRXYQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N.BF4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;2-1(3,4)5/h5-17H2,1-4H3;/q+1;-1.
What are the key properties of trimethyl(tetradecyl)azanium tetrafluoroborate?
trimethyl(tetradecyl)azanium tetrafluoroborate has a molecular weight of 343.30 g/mol, XLogP of 6.69, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(tetradecyl)azanium tetrafluoroborate is sourced from PubChem (CID 10871627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).