azane;benzyl(triethyl)azanium;hydrofluoride

C13H26FN2+ — CID 174537374

IUPACazane;benzyl(triethyl)azanium;hydrofluoride
SMILESCC[N+](CC)(CC)Cc1ccccc1.F.N
InChIInChI=1S/C13H22N.FH.H3N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;;/h7-11H,4-6,12H2,1-3H3;1H;1H3/q+1;;
InChIKeyBWYCMSBQPHMFPR-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.38
Rot. Bonds5

About azane;benzyl(triethyl)azanium;hydrofluoride

azane;benzyl(triethyl)azanium;hydrofluoride (PubChem CID 174537374) has the molecular formula C13H26FN2+ and a molecular weight of 229.36 g/mol. Its IUPAC name is azane;benzyl(triethyl)azanium;hydrofluoride.

Molecular Properties

Compound Nameazane;benzyl(triethyl)azanium;hydrofluoride
PubChem CID174537374
Molecular FormulaC13H26FN2+
Molecular Weight229.36 g/mol
Exact Mass229.21
IUPAC Nameazane;benzyl(triethyl)azanium;hydrofluoride
SMILESCC[N+](CC)(CC)Cc1ccccc1.F.N
InChIInChI=1S/C13H22N.FH.H3N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;;/h7-11H,4-6,12H2,1-3H3;1H;1H3/q+1;;
InChIKeyBWYCMSBQPHMFPR-UHFFFAOYSA-N
XLogP3.38
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
benzyl(triethyl)azanium;trimethyl(phenyl)azanium
CID 158940719
dibenzyl-ethyl-propylazanium
CID 130331727
potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide
CID 174844713
azanium;benzyl(triethyl)azanium;hydrogen sulfate
CID 172746378
triethyl-[(4-phenoxyphenyl)methyl]azanium
CID 19809811
bis(benzyl(triethyl)azanium);terephthalate
CID 21225187
bis(benzyl(triethyl)azanium);phthalate
CID 21225163
benzyl-diethyl-octylazanium bromide
CID 71430300

Frequently Asked Questions

What is the IUPAC name of azane;benzyl(triethyl)azanium;hydrofluoride?
The IUPAC name of azane;benzyl(triethyl)azanium;hydrofluoride (CID 174537374) is azane;benzyl(triethyl)azanium;hydrofluoride.
What is the SMILES notation for azane;benzyl(triethyl)azanium;hydrofluoride?
The canonical SMILES for azane;benzyl(triethyl)azanium;hydrofluoride is CC[N+](CC)(CC)Cc1ccccc1.F.N.
What is the InChIKey of azane;benzyl(triethyl)azanium;hydrofluoride?
The InChIKey is BWYCMSBQPHMFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N.FH.H3N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;;/h7-11H,4-6,12H2,1-3H3;1H;1H3/q+1;;.
What are the key properties of azane;benzyl(triethyl)azanium;hydrofluoride?
azane;benzyl(triethyl)azanium;hydrofluoride has a molecular weight of 229.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzyl(triethyl)azanium;hydrofluoride is sourced from PubChem (CID 174537374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).