diethyl(16-phenylhexadecyl)azanium chloride

C26H48ClN — CID 70621692

IUPACdiethyl(16-phenylhexadecyl)azanium chloride
SMILESCC[NH+](CC)CCCCCCCCCCCCCCCCc1ccccc1.[Cl-]
InChIInChI=1S/C26H47N.ClH/c1-3-27(4-2)25-21-16-14-12-10-8-6-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26;/h17,19-20,23-24H,3-16,18,21-22,25H2,1-2H3;1H
InChIKeyVJFGSOZADYDEIU-UHFFFAOYSA-N
MW410.13 g/mol
LogP3.62
Rot. Bonds19

About diethyl(16-phenylhexadecyl)azanium chloride

diethyl(16-phenylhexadecyl)azanium chloride (PubChem CID 70621692) has the molecular formula C26H48ClN and a molecular weight of 410.13 g/mol. Its IUPAC name is diethyl(16-phenylhexadecyl)azanium chloride.

Molecular Properties

Compound Namediethyl(16-phenylhexadecyl)azanium chloride
PubChem CID70621692
Molecular FormulaC26H48ClN
Molecular Weight410.13 g/mol
Exact Mass409.35
IUPAC Namediethyl(16-phenylhexadecyl)azanium chloride
SMILESCC[NH+](CC)CCCCCCCCCCCCCCCCc1ccccc1.[Cl-]
InChIInChI=1S/C26H47N.ClH/c1-3-27(4-2)25-21-16-14-12-10-8-6-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26;/h17,19-20,23-24H,3-16,18,21-22,25H2,1-2H3;1H
InChIKeyVJFGSOZADYDEIU-UHFFFAOYSA-N
XLogP3.62
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.13
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl(18-phenyloctadecyl)azanium chloride
CID 70621392
ethyl-methyl-(13-phenyltridecyl)azanium chloride
CID 158524301
dimethyl(9-phenylnonyl)azanium dichloride
CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589
dimethyl(15-phenylpentadecyl)azanium;chloride;dihydrate
CID 70271665
dimethyl(19-phenylnonadecyl)azanium;chloride;hydrate
CID 70269048
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium
CID 7047061

Frequently Asked Questions

What is the IUPAC name of diethyl(16-phenylhexadecyl)azanium chloride?
The IUPAC name of diethyl(16-phenylhexadecyl)azanium chloride (CID 70621692) is diethyl(16-phenylhexadecyl)azanium chloride.
What is the SMILES notation for diethyl(16-phenylhexadecyl)azanium chloride?
The canonical SMILES for diethyl(16-phenylhexadecyl)azanium chloride is CC[NH+](CC)CCCCCCCCCCCCCCCCc1ccccc1.[Cl-].
What is the InChIKey of diethyl(16-phenylhexadecyl)azanium chloride?
The InChIKey is VJFGSOZADYDEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N.ClH/c1-3-27(4-2)25-21-16-14-12-10-8-6-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26;/h17,19-20,23-24H,3-16,18,21-22,25H2,1-2H3;1H.
What are the key properties of diethyl(16-phenylhexadecyl)azanium chloride?
diethyl(16-phenylhexadecyl)azanium chloride has a molecular weight of 410.13 g/mol, XLogP of 3.62, 19 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(16-phenylhexadecyl)azanium chloride is sourced from PubChem (CID 70621692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).