diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide

C14H38N2O2 — CID 176898884

IUPACdiethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide
SMILESCCCCCC[N+](C)(C)C.CC[NH+](C)CC.[OH-].[OH-]
InChIInChI=1S/C9H22N.C5H13N.2H2O/c1-5-6-7-8-9-10(2,3)4;1-4-6(3)5-2;;/h5-9H2,1-4H3;4-5H2,1-3H3;2*1H2/q+1;;;/p-1
InChIKeyOWUZJRALHXIRQN-UHFFFAOYSA-M
MW266.47 g/mol
LogP1.46
Rot. Bonds7

About diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide

diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide (PubChem CID 176898884) has the molecular formula C14H38N2O2 and a molecular weight of 266.47 g/mol. Its IUPAC name is diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide.

Molecular Properties

Compound Namediethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide
PubChem CID176898884
Molecular FormulaC14H38N2O2
Molecular Weight266.47 g/mol
Exact Mass266.29
IUPAC Namediethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide
SMILESCCCCCC[N+](C)(C)C.CC[NH+](C)CC.[OH-].[OH-]
InChIInChI=1S/C9H22N.C5H13N.2H2O/c1-5-6-7-8-9-10(2,3)4;1-4-6(3)5-2;;/h5-9H2,1-4H3;4-5H2,1-3H3;2*1H2/q+1;;;/p-1
InChIKeyOWUZJRALHXIRQN-UHFFFAOYSA-M
XLogP1.46
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

icosyl(trimethyl)azanium hydroxide
CID 21324498
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
CID 174258652
CID 174258652
trimethyl(octyl)azanium chloride
CID 24949
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

Frequently Asked Questions

What is the IUPAC name of diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide?
The IUPAC name of diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide (CID 176898884) is diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide.
What is the SMILES notation for diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide?
The canonical SMILES for diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide is CCCCCC[N+](C)(C)C.CC[NH+](C)CC.[OH-].[OH-].
What is the InChIKey of diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide?
The InChIKey is OWUZJRALHXIRQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N.C5H13N.2H2O/c1-5-6-7-8-9-10(2,3)4;1-4-6(3)5-2;;/h5-9H2,1-4H3;4-5H2,1-3H3;2*1H2/q+1;;;/p-1.
What are the key properties of diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide?
diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide has a molecular weight of 266.47 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methyl)azanium;hexyl(trimethyl)azanium;dihydroxide is sourced from PubChem (CID 176898884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).