icosyl(trimethyl)azanium hydroxide

C23H51NO — CID 21324498

IUPACicosyl(trimethyl)azanium hydroxide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-]
InChIInChI=1S/C23H50N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)4;/h5-23H2,1-4H3;1H2/q+1;/p-1
InChIKeyCXUGOTUSWGIFPJ-UHFFFAOYSA-M
MW357.67 g/mol
LogP7.56
Rot. Bonds19

About icosyl(trimethyl)azanium hydroxide

icosyl(trimethyl)azanium hydroxide (PubChem CID 21324498) has the molecular formula C23H51NO and a molecular weight of 357.67 g/mol. Its IUPAC name is icosyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Nameicosyl(trimethyl)azanium hydroxide
PubChem CID21324498
Molecular FormulaC23H51NO
Molecular Weight357.67 g/mol
Exact Mass357.40
IUPAC Nameicosyl(trimethyl)azanium hydroxide
SMILESCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-]
InChIInChI=1S/C23H50N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)4;/h5-23H2,1-4H3;1H2/q+1;/p-1
InChIKeyCXUGOTUSWGIFPJ-UHFFFAOYSA-M
XLogP7.56
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.67
LogP ≤ 57.56
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

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387

Frequently Asked Questions

What is the IUPAC name of icosyl(trimethyl)azanium hydroxide?
The IUPAC name of icosyl(trimethyl)azanium hydroxide (CID 21324498) is icosyl(trimethyl)azanium hydroxide.
What is the SMILES notation for icosyl(trimethyl)azanium hydroxide?
The canonical SMILES for icosyl(trimethyl)azanium hydroxide is CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-].
What is the InChIKey of icosyl(trimethyl)azanium hydroxide?
The InChIKey is CXUGOTUSWGIFPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H50N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)4;/h5-23H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of icosyl(trimethyl)azanium hydroxide?
icosyl(trimethyl)azanium hydroxide has a molecular weight of 357.67 g/mol, XLogP of 7.56, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 21324498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).