dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium

C34H40N+ — CID 175193001

IUPACdibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium
SMILESCCC(CC)(c1ccccc1Cc1ccccc1)[N+](CC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H40N/c1-4-34(5-2,33-25-17-16-24-32(33)26-29-18-10-7-11-19-29)35(6-3,27-30-20-12-8-13-21-30)28-31-22-14-9-15-23-31/h7-25H,4-6,26-28H2,1-3H3/q+1
InChIKeyTZLBJLIYYBWZHI-UHFFFAOYSA-N
MW462.70 g/mol
LogP8.53
Rot. Bonds11

About dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium

dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium (PubChem CID 175193001) has the molecular formula C34H40N+ and a molecular weight of 462.70 g/mol. Its IUPAC name is dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium.

Molecular Properties

Compound Namedibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium
PubChem CID175193001
Molecular FormulaC34H40N+
Molecular Weight462.70 g/mol
Exact Mass462.32
IUPAC Namedibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium
SMILESCCC(CC)(c1ccccc1Cc1ccccc1)[N+](CC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H40N/c1-4-34(5-2,33-25-17-16-24-32(33)26-29-18-10-7-11-19-29)35(6-3,27-30-20-12-8-13-21-30)28-31-22-14-9-15-23-31/h7-25H,4-6,26-28H2,1-3H3/q+1
InChIKeyTZLBJLIYYBWZHI-UHFFFAOYSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.70
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium 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

triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride
CID 175009803
(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
CID 129364050
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
dibenzyl-ethyl-methylazanium
CID 87490135
benzyl-ethyl-dimethylazanium;methane
CID 169432077
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
benzyl(triethyl)azanium;benzyl(trimethyl)azanium;dichloride
CID 141447337
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
azane;benzyl-ethyl-dimethylazanium;chloride
CID 174615231
benzyl-ethyl-dimethylazanium;mercury;chloride
CID 174604450
benzyl(triethyl)azanium;trimethyl(phenyl)azanium
CID 158940719
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium?
The IUPAC name of dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium (CID 175193001) is dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium.
What is the SMILES notation for dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium?
The canonical SMILES for dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium is CCC(CC)(c1ccccc1Cc1ccccc1)[N+](CC)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium?
The InChIKey is TZLBJLIYYBWZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N/c1-4-34(5-2,33-25-17-16-24-32(33)26-29-18-10-7-11-19-29)35(6-3,27-30-20-12-8-13-21-30)28-31-22-14-9-15-23-31/h7-25H,4-6,26-28H2,1-3H3/q+1.
What are the key properties of dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium?
dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium has a molecular weight of 462.70 g/mol, XLogP of 8.53, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium is sourced from PubChem (CID 175193001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).