ethyl-icosyl-diphenylazanium hydroxide

C34H57NO — CID 70584575

IUPACethyl-icosyl-diphenylazanium hydroxide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](CC)(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C34H56N.H2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-32-35(4-2,33-28-23-21-24-29-33)34-30-25-22-26-31-34;/h21-26,28-31H,3-20,27,32H2,1-2H3;1H2/q+1;/p-1
InChIKeyMYIAJXWDXRLEDN-UHFFFAOYSA-M
MW495.84 g/mol
LogP11.21
Rot. Bonds22

About ethyl-icosyl-diphenylazanium hydroxide

ethyl-icosyl-diphenylazanium hydroxide (PubChem CID 70584575) has the molecular formula C34H57NO and a molecular weight of 495.84 g/mol. Its IUPAC name is ethyl-icosyl-diphenylazanium hydroxide.

Molecular Properties

Compound Nameethyl-icosyl-diphenylazanium hydroxide
PubChem CID70584575
Molecular FormulaC34H57NO
Molecular Weight495.84 g/mol
Exact Mass495.44
IUPAC Nameethyl-icosyl-diphenylazanium hydroxide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](CC)(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C34H56N.H2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-32-35(4-2,33-28-23-21-24-29-33)34-30-25-22-26-31-34;/h21-26,28-31H,3-20,27,32H2,1-2H3;1H2/q+1;/p-1
InChIKeyMYIAJXWDXRLEDN-UHFFFAOYSA-M
XLogP11.21
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.84
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-octadecyl-diphenylazanium
CID 54523156
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
dihexyl(diphenyl)azanium
CID 18362526
diheptyl(diphenyl)azanium iodide
CID 69308025
dihexyl(diphenyl)azanium iodide
CID 69305411
dioctyl(diphenyl)azanium bromide
CID 69327421
hexadecyl-diphenyl-propylazanium chloride
CID 70520322
methyl-phenyl-di(tridecyl)azanium
CID 90292596
diethyl-heptadecyl-phenylazanium
CID 163210934
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
diethyl-icosyl-phenylazanium bromide
CID 163210919
dibutyl(diphenyl)azanium chloride
CID 69306107

Frequently Asked Questions

What is the IUPAC name of ethyl-icosyl-diphenylazanium hydroxide?
The IUPAC name of ethyl-icosyl-diphenylazanium hydroxide (CID 70584575) is ethyl-icosyl-diphenylazanium hydroxide.
What is the SMILES notation for ethyl-icosyl-diphenylazanium hydroxide?
The canonical SMILES for ethyl-icosyl-diphenylazanium hydroxide is CCCCCCCCCCCCCCCCCCCC[N+](CC)(c1ccccc1)c1ccccc1.[OH-].
What is the InChIKey of ethyl-icosyl-diphenylazanium hydroxide?
The InChIKey is MYIAJXWDXRLEDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H56N.H2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-32-35(4-2,33-28-23-21-24-29-33)34-30-25-22-26-31-34;/h21-26,28-31H,3-20,27,32H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of ethyl-icosyl-diphenylazanium hydroxide?
ethyl-icosyl-diphenylazanium hydroxide has a molecular weight of 495.84 g/mol, XLogP of 11.21, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-icosyl-diphenylazanium hydroxide is sourced from PubChem (CID 70584575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).