dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride

C24H34ClN — CID 88731072

IUPACdibutyl-(1,2-diphenylethyl)-ethenylazanium chloride
SMILESC=C[N+](CCCC)(CCCC)C(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C24H34N.ClH/c1-4-7-19-25(6-3,20-8-5-2)24(23-17-13-10-14-18-23)21-22-15-11-9-12-16-22;/h6,9-18,24H,3-5,7-8,19-21H2,1-2H3;1H/q+1;/p-1
InChIKeyZXSYCKMGKYQQLS-UHFFFAOYSA-M
MW372.00 g/mol
LogP3.53
Rot. Bonds11

About dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride

dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride (PubChem CID 88731072) has the molecular formula C24H34ClN and a molecular weight of 372.00 g/mol. Its IUPAC name is dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride.

Molecular Properties

Compound Namedibutyl-(1,2-diphenylethyl)-ethenylazanium chloride
PubChem CID88731072
Molecular FormulaC24H34ClN
Molecular Weight372.00 g/mol
Exact Mass371.24
IUPAC Namedibutyl-(1,2-diphenylethyl)-ethenylazanium chloride
SMILESC=C[N+](CCCC)(CCCC)C(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C24H34N.ClH/c1-4-7-19-25(6-3,20-8-5-2)24(23-17-13-10-14-18-23)21-22-15-11-9-12-16-22;/h6,9-18,24H,3-5,7-8,19-21H2,1-2H3;1H/q+1;/p-1
InChIKeyZXSYCKMGKYQQLS-UHFFFAOYSA-M
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.00
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride 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

didodecyl-ethenyl-(1-phenyltridecyl)azanium
CID 87960569
ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium
CID 159427465
1,2-diphenylethyl-ethyl-dimethylazanium chloride
CID 175355972
tributyl(1-phenylprop-2-enyl)azanium chloride
CID 22044442
[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride
CID 88761112
2-ethenyltetradecylbenzene
CID 173452613
1-phenylundecan-2-ylbenzene
CID 22919994
trimethyl(1-phenyloctadecyl)azanium chloride
CID 21424302
1-phenyltridecan-2-ylbenzene
CID 22919631
hexadecyl-dimethyl-(1-phenyltridecyl)azanium chloride
CID 139891430
tridodecyl(1-phenylprop-2-enyl)azanium
CID 87960565
dimethyl-nonyl-(1-phenylpropan-2-yl)azanium
CID 67563494

Frequently Asked Questions

What is the IUPAC name of dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride?
The IUPAC name of dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride (CID 88731072) is dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride.
What is the SMILES notation for dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride?
The canonical SMILES for dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride is C=C[N+](CCCC)(CCCC)C(Cc1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride?
The InChIKey is ZXSYCKMGKYQQLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H34N.ClH/c1-4-7-19-25(6-3,20-8-5-2)24(23-17-13-10-14-18-23)21-22-15-11-9-12-16-22;/h6,9-18,24H,3-5,7-8,19-21H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride?
dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride has a molecular weight of 372.00 g/mol, XLogP of 3.53, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride is sourced from PubChem (CID 88731072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).