dibutyl(diphenyl)azanium chloride

C20H28ClN — CID 69306107

IUPACdibutyl(diphenyl)azanium chloride
SMILESCCCC[N+](CCCC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H28N.ClH/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,3-6,17-18H2,1-2H3;1H/q+1;/p-1
InChIKeyLEDOFSSSYKBULJ-UHFFFAOYSA-M
MW317.90 g/mol
LogP2.93
Rot. Bonds8

About dibutyl(diphenyl)azanium chloride

dibutyl(diphenyl)azanium chloride (PubChem CID 69306107) has the molecular formula C20H28ClN and a molecular weight of 317.90 g/mol. Its IUPAC name is dibutyl(diphenyl)azanium chloride.

Molecular Properties

Compound Namedibutyl(diphenyl)azanium chloride
PubChem CID69306107
Molecular FormulaC20H28ClN
Molecular Weight317.90 g/mol
Exact Mass317.19
IUPAC Namedibutyl(diphenyl)azanium chloride
SMILESCCCC[N+](CCCC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H28N.ClH/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,3-6,17-18H2,1-2H3;1H/q+1;/p-1
InChIKeyLEDOFSSSYKBULJ-UHFFFAOYSA-M
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 52.93
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

dihexyl(diphenyl)azanium
CID 18362526
hexadecyl-diphenyl-propylazanium chloride
CID 70520322
dihexyl(diphenyl)azanium iodide
CID 69305411
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
diheptyl(diphenyl)azanium iodide
CID 69308025
dioctyl(diphenyl)azanium bromide
CID 69327421
ethyl-octadecyl-diphenylazanium
CID 54523156
ethyl-icosyl-diphenylazanium hydroxide
CID 70584575
methyl-dioctadecyl-phenylazanium chloride
CID 157489990
methyl-phenyl-di(tridecyl)azanium
CID 90292596
dodecyl-diethyl-phenylazanium chloride
CID 70521087
benzyl-diphenyl-propylazanium chloride
CID 20525509

Frequently Asked Questions

What is the IUPAC name of dibutyl(diphenyl)azanium chloride?
The IUPAC name of dibutyl(diphenyl)azanium chloride (CID 69306107) is dibutyl(diphenyl)azanium chloride.
What is the SMILES notation for dibutyl(diphenyl)azanium chloride?
The canonical SMILES for dibutyl(diphenyl)azanium chloride is CCCC[N+](CCCC)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of dibutyl(diphenyl)azanium chloride?
The InChIKey is LEDOFSSSYKBULJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28N.ClH/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16H,3-6,17-18H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dibutyl(diphenyl)azanium chloride?
dibutyl(diphenyl)azanium chloride has a molecular weight of 317.90 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(diphenyl)azanium chloride is sourced from PubChem (CID 69306107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).