dibenzyl-ethyl-propylazanium

C19H26N+ — CID 130331727

IUPACdibenzyl-ethyl-propylazanium
SMILESCCC[N+](CC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H26N/c1-3-15-20(4-2,16-18-11-7-5-8-12-18)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3/q+1
InChIKeyFIBFAXJLKAVKML-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.63
Rot. Bonds7

About dibenzyl-ethyl-propylazanium

dibenzyl-ethyl-propylazanium (PubChem CID 130331727) has the molecular formula C19H26N+ and a molecular weight of 268.42 g/mol. Its IUPAC name is dibenzyl-ethyl-propylazanium.

Molecular Properties

Compound Namedibenzyl-ethyl-propylazanium
PubChem CID130331727
Molecular FormulaC19H26N+
Molecular Weight268.42 g/mol
Exact Mass268.21
IUPAC Namedibenzyl-ethyl-propylazanium
SMILESCCC[N+](CC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H26N/c1-3-15-20(4-2,16-18-11-7-5-8-12-18)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3/q+1
InChIKeyFIBFAXJLKAVKML-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.63
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

dibenzyl(dipropyl)azanium iodide
CID 87776687
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
benzyl-diethyl-octylazanium bromide
CID 71430300
benzyl-heptadecyl-dipropylazanium
CID 160895154
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
benzyl-dioctyl-propylazanium chloride
CID 88724211
benzyl-dipropyl-undecylazanium chloride
CID 20525514
benzyl(tripropyl)azanium;hydrogen sulfate
CID 19980668
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
benzyl-diethyl-tetradecylazanium;trimethylazanium;dichloride
CID 158505012
benzyl-[2-(butyliminomethylideneamino)ethyl]-diethylazanium bromide
CID 134915128

Frequently Asked Questions

What is the IUPAC name of dibenzyl-ethyl-propylazanium?
The IUPAC name of dibenzyl-ethyl-propylazanium (CID 130331727) is dibenzyl-ethyl-propylazanium.
What is the SMILES notation for dibenzyl-ethyl-propylazanium?
The canonical SMILES for dibenzyl-ethyl-propylazanium is CCC[N+](CC)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-ethyl-propylazanium?
The InChIKey is FIBFAXJLKAVKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N/c1-3-15-20(4-2,16-18-11-7-5-8-12-18)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3/q+1.
What are the key properties of dibenzyl-ethyl-propylazanium?
dibenzyl-ethyl-propylazanium has a molecular weight of 268.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-ethyl-propylazanium is sourced from PubChem (CID 130331727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).