didodecyl(diethyl)azanium hydroxide

C28H61NO — CID 87834319

IUPACdidodecyl(diethyl)azanium hydroxide
SMILESCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCC.[OH-]
InChIInChI=1S/C28H60N.H2O/c1-5-9-11-13-15-17-19-21-23-25-27-29(7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2;/h5-28H2,1-4H3;1H2/q+1;/p-1
InChIKeyJJRCYDKZGKZDOJ-UHFFFAOYSA-M
MW427.80 g/mol
LogP9.51
Rot. Bonds24

About didodecyl(diethyl)azanium hydroxide

didodecyl(diethyl)azanium hydroxide (PubChem CID 87834319) has the molecular formula C28H61NO and a molecular weight of 427.80 g/mol. Its IUPAC name is didodecyl(diethyl)azanium hydroxide.

Molecular Properties

Compound Namedidodecyl(diethyl)azanium hydroxide
PubChem CID87834319
Molecular FormulaC28H61NO
Molecular Weight427.80 g/mol
Exact Mass427.48
IUPAC Namedidodecyl(diethyl)azanium hydroxide
SMILESCCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCC.[OH-]
InChIInChI=1S/C28H60N.H2O/c1-5-9-11-13-15-17-19-21-23-25-27-29(7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2;/h5-28H2,1-4H3;1H2/q+1;/p-1
InChIKeyJJRCYDKZGKZDOJ-UHFFFAOYSA-M
XLogP9.51
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.80
LogP ≤ 59.51
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

dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
diethyl(dioctyl)azanium fluoride
CID 19602103
diethyl-heptyl-octylazanium bromide
CID 88763250
triethyl(octyl)azanium hydroxide
CID 23496315
diethyl(dipentyl)azanium bromide
CID 87777355
didecyl-ethyl-octylazanium
CID 172694602
triethyl(tetradecyl)azanium
CID 28911
tetraoctylazanium hydroxide
CID 10994503
triethyl(tridecyl)azanium bromide
CID 14647396
triethyl(tetradecyl)azanium iodide
CID 87777336

Frequently Asked Questions

What is the IUPAC name of didodecyl(diethyl)azanium hydroxide?
The IUPAC name of didodecyl(diethyl)azanium hydroxide (CID 87834319) is didodecyl(diethyl)azanium hydroxide.
What is the SMILES notation for didodecyl(diethyl)azanium hydroxide?
The canonical SMILES for didodecyl(diethyl)azanium hydroxide is CCCCCCCCCCCC[N+](CC)(CC)CCCCCCCCCCCC.[OH-].
What is the InChIKey of didodecyl(diethyl)azanium hydroxide?
The InChIKey is JJRCYDKZGKZDOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H60N.H2O/c1-5-9-11-13-15-17-19-21-23-25-27-29(7-3,8-4)28-26-24-22-20-18-16-14-12-10-6-2;/h5-28H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of didodecyl(diethyl)azanium hydroxide?
didodecyl(diethyl)azanium hydroxide has a molecular weight of 427.80 g/mol, XLogP of 9.51, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl(diethyl)azanium hydroxide is sourced from PubChem (CID 87834319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).