dibenzyl(dipropyl)azanium iodide

C20H28IN — CID 87776687

IUPACdibenzyl(dipropyl)azanium iodide
SMILESCCC[N+](CCC)(Cc1ccccc1)Cc1ccccc1.[I-]
InChIInChI=1S/C20H28N.HI/c1-3-15-21(16-4-2,17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20;/h5-14H,3-4,15-18H2,1-2H3;1H/q+1;/p-1
InChIKeyZOMYLTJMGALXAW-UHFFFAOYSA-M
MW409.36 g/mol
LogP2.03
Rot. Bonds8

About dibenzyl(dipropyl)azanium iodide

dibenzyl(dipropyl)azanium iodide (PubChem CID 87776687) has the molecular formula C20H28IN and a molecular weight of 409.36 g/mol. Its IUPAC name is dibenzyl(dipropyl)azanium iodide.

Molecular Properties

Compound Namedibenzyl(dipropyl)azanium iodide
PubChem CID87776687
Molecular FormulaC20H28IN
Molecular Weight409.36 g/mol
Exact Mass409.13
IUPAC Namedibenzyl(dipropyl)azanium iodide
SMILESCCC[N+](CCC)(Cc1ccccc1)Cc1ccccc1.[I-]
InChIInChI=1S/C20H28N.HI/c1-3-15-21(16-4-2,17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20;/h5-14H,3-4,15-18H2,1-2H3;1H/q+1;/p-1
InChIKeyZOMYLTJMGALXAW-UHFFFAOYSA-M
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl-ethyl-propylazanium
CID 130331727
benzyl-heptadecyl-dipropylazanium
CID 160895154
dibenzyl(dioctyl)azanium
CID 87777407
benzyl-dioctyl-propylazanium chloride
CID 88724211
benzyl-dipropyl-undecylazanium chloride
CID 20525514
tribenzyl(heptyl)azanium iodide
CID 87777653
tribenzyl(decyl)azanium iodide
CID 87778750
dibenzyl(dihexyl)azanium bromide
CID 87778689
benzyl(tripropyl)azanium;hydrogen sulfate
CID 19980668
benzyl(tributyl)azanium;chloride;hydrate
CID 141006059
benzyl-tri(tetradecyl)azanium
CID 90292155
tribenzyl(heptadecyl)azanium
CID 87810637

Frequently Asked Questions

What is the IUPAC name of dibenzyl(dipropyl)azanium iodide?
The IUPAC name of dibenzyl(dipropyl)azanium iodide (CID 87776687) is dibenzyl(dipropyl)azanium iodide.
What is the SMILES notation for dibenzyl(dipropyl)azanium iodide?
The canonical SMILES for dibenzyl(dipropyl)azanium iodide is CCC[N+](CCC)(Cc1ccccc1)Cc1ccccc1.[I-].
What is the InChIKey of dibenzyl(dipropyl)azanium iodide?
The InChIKey is ZOMYLTJMGALXAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28N.HI/c1-3-15-21(16-4-2,17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20;/h5-14H,3-4,15-18H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dibenzyl(dipropyl)azanium iodide?
dibenzyl(dipropyl)azanium iodide has a molecular weight of 409.36 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(dipropyl)azanium iodide is sourced from PubChem (CID 87776687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).