azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate

C19H46B2F8N2 — CID 174881338

IUPACazanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.[NH4+]
InChIInChI=1S/C19H42N.2BF4.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;2*2-1(3,4)5;/h5-19H2,1-4H3;;;1H3/q+1;2*-1;/p+1
InChIKeyAIJGWKRFXJWQSI-UHFFFAOYSA-O
MW476.20 g/mol
LogP9.15
Rot. Bonds15

About azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate

azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate (PubChem CID 174881338) has the molecular formula C19H46B2F8N2 and a molecular weight of 476.20 g/mol. Its IUPAC name is azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate.

Molecular Properties

Compound Nameazanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate
PubChem CID174881338
Molecular FormulaC19H46B2F8N2
Molecular Weight476.20 g/mol
Exact Mass476.37
IUPAC Nameazanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.[NH4+]
InChIInChI=1S/C19H42N.2BF4.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;2*2-1(3,4)5;/h5-19H2,1-4H3;;;1H3/q+1;2*-1;/p+1
InChIKeyAIJGWKRFXJWQSI-UHFFFAOYSA-O
XLogP9.15
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.20
LogP ≤ 59.15
H-Bond Donors ≤ 51
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'}

Analyze azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl(tetradecyl)azanium tetrafluoroborate
CID 10871627
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 azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate?
The IUPAC name of azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate (CID 174881338) is azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate.
What is the SMILES notation for azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate?
The canonical SMILES for azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate is CCCCCCCCCCCCCCCC[N+](C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.[NH4+].
What is the InChIKey of azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate?
The InChIKey is AIJGWKRFXJWQSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H42N.2BF4.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;2*2-1(3,4)5;/h5-19H2,1-4H3;;;1H3/q+1;2*-1;/p+1.
What are the key properties of azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate?
azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate has a molecular weight of 476.20 g/mol, XLogP of 9.15, 15 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;hexadecyl(trimethyl)azanium;ditetrafluoroborate is sourced from PubChem (CID 174881338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).