dodecyl-dimethyl-phenylazanium hydroxide

C20H37NO — CID 70585680

IUPACdodecyl-dimethyl-phenylazanium hydroxide
SMILESCCCCCCCCCCCC[N+](C)(C)c1ccccc1.[OH-]
InChIInChI=1S/C20H36N.H2O/c1-4-5-6-7-8-9-10-11-12-16-19-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18H,4-12,16,19H2,1-3H3;1H2/q+1;/p-1
InChIKeyFWEUJSIGVANDEZ-UHFFFAOYSA-M
MW307.52 g/mol
LogP6.00
Rot. Bonds12

About dodecyl-dimethyl-phenylazanium hydroxide

dodecyl-dimethyl-phenylazanium hydroxide (PubChem CID 70585680) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is dodecyl-dimethyl-phenylazanium hydroxide.

Molecular Properties

Compound Namedodecyl-dimethyl-phenylazanium hydroxide
PubChem CID70585680
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Namedodecyl-dimethyl-phenylazanium hydroxide
SMILESCCCCCCCCCCCC[N+](C)(C)c1ccccc1.[OH-]
InChIInChI=1S/C20H36N.H2O/c1-4-5-6-7-8-9-10-11-12-16-19-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18H,4-12,16,19H2,1-3H3;1H2/q+1;/p-1
InChIKeyFWEUJSIGVANDEZ-UHFFFAOYSA-M
XLogP6.00
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 56.00
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

dimethyl-octyl-phenylazanium
CID 54404840
dimethyl-pentadecyl-phenylazanium chloride
CID 70606741
diethyl-phenyl-tetradecylazanium;dimethyl-phenyl-tetradecylazanium;dihydroxide
CID 21316097
bis(dimethyl-octadecyl-phenylazanium);sulfate
CID 67908951
dimethyl-octadec-9-enyl-phenylazanium
CID 123303773
hexadecyl-[4-[hexadecyl(dimethyl)azaniumyl]phenyl]-dimethylazanium
CID 101113439
dimethyl-octadecyl-(4-phenoxyphenyl)azanium
CID 118035898
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
methyl-phenyl-di(tridecyl)azanium
CID 90292596
methyl-dioctadecyl-phenylazanium chloride
CID 157489990
triphenyl(undecyl)azanium
CID 69395784
dihexyl(diphenyl)azanium
CID 18362526

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-phenylazanium hydroxide?
The IUPAC name of dodecyl-dimethyl-phenylazanium hydroxide (CID 70585680) is dodecyl-dimethyl-phenylazanium hydroxide.
What is the SMILES notation for dodecyl-dimethyl-phenylazanium hydroxide?
The canonical SMILES for dodecyl-dimethyl-phenylazanium hydroxide is CCCCCCCCCCCC[N+](C)(C)c1ccccc1.[OH-].
What is the InChIKey of dodecyl-dimethyl-phenylazanium hydroxide?
The InChIKey is FWEUJSIGVANDEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36N.H2O/c1-4-5-6-7-8-9-10-11-12-16-19-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18H,4-12,16,19H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-phenylazanium hydroxide?
dodecyl-dimethyl-phenylazanium hydroxide has a molecular weight of 307.52 g/mol, XLogP of 6.00, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-phenylazanium hydroxide is sourced from PubChem (CID 70585680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).