benzyl(triethyl)azanium;trimethyl(phenyl)azanium

C22H36N2+2 — CID 158940719

IUPACbenzyl(triethyl)azanium;trimethyl(phenyl)azanium
SMILESCC[N+](CC)(CC)Cc1ccccc1.C[N+](C)(C)c1ccccc1
InChIInChI=1S/C13H22N.C9H14N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-10(2,3)9-7-5-4-6-8-9/h7-11H,4-6,12H2,1-3H3;4-8H,1-3H3/q2*+1
InChIKeyJKFBPMMCWHAJHS-UHFFFAOYSA-N
MW328.54 g/mol
LogP4.95
Rot. Bonds6

About benzyl(triethyl)azanium;trimethyl(phenyl)azanium

benzyl(triethyl)azanium;trimethyl(phenyl)azanium (PubChem CID 158940719) has the molecular formula C22H36N2+2 and a molecular weight of 328.54 g/mol. Its IUPAC name is benzyl(triethyl)azanium;trimethyl(phenyl)azanium.

Molecular Properties

Compound Namebenzyl(triethyl)azanium;trimethyl(phenyl)azanium
PubChem CID158940719
Molecular FormulaC22H36N2+2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Namebenzyl(triethyl)azanium;trimethyl(phenyl)azanium
SMILESCC[N+](CC)(CC)Cc1ccccc1.C[N+](C)(C)c1ccccc1
InChIInChI=1S/C13H22N.C9H14N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-10(2,3)9-7-5-4-6-8-9/h7-11H,4-6,12H2,1-3H3;4-8H,1-3H3/q2*+1
InChIKeyJKFBPMMCWHAJHS-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(benzyl(triethyl)azanium);tribromide
CID 86596066
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
dibenzyl-ethyl-propylazanium
CID 130331727
potassium;benzyl(triethyl)azanium;carbonic acid;hydride;hydrobromide
CID 174844713
ethanolate;trimethyl(phenyl)azanium
CID 12512092
dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
CID 15787908
azanium;benzyl(triethyl)azanium;hydrogen sulfate
CID 172746378

Frequently Asked Questions

What is the IUPAC name of benzyl(triethyl)azanium;trimethyl(phenyl)azanium?
The IUPAC name of benzyl(triethyl)azanium;trimethyl(phenyl)azanium (CID 158940719) is benzyl(triethyl)azanium;trimethyl(phenyl)azanium.
What is the SMILES notation for benzyl(triethyl)azanium;trimethyl(phenyl)azanium?
The canonical SMILES for benzyl(triethyl)azanium;trimethyl(phenyl)azanium is CC[N+](CC)(CC)Cc1ccccc1.C[N+](C)(C)c1ccccc1.
What is the InChIKey of benzyl(triethyl)azanium;trimethyl(phenyl)azanium?
The InChIKey is JKFBPMMCWHAJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N.C9H14N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-10(2,3)9-7-5-4-6-8-9/h7-11H,4-6,12H2,1-3H3;4-8H,1-3H3/q2*+1.
What are the key properties of benzyl(triethyl)azanium;trimethyl(phenyl)azanium?
benzyl(triethyl)azanium;trimethyl(phenyl)azanium has a molecular weight of 328.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triethyl)azanium;trimethyl(phenyl)azanium is sourced from PubChem (CID 158940719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).