diethyl-bis(3-hydroxypropyl)azanium hydroxide

C10H25NO3 — CID 22731865

IUPACdiethyl-bis(3-hydroxypropyl)azanium hydroxide
SMILESCC[N+](CC)(CCCO)CCCO.[OH-]
InChIInChI=1S/C10H24NO2.H2O/c1-3-11(4-2,7-5-9-12)8-6-10-13;/h12-13H,3-10H2,1-2H3;1H2/q+1;/p-1
InChIKeyFAUSJJKRHFIRDP-UHFFFAOYSA-M
MW207.31 g/mol
LogP0.43
Rot. Bonds8

About diethyl-bis(3-hydroxypropyl)azanium hydroxide

diethyl-bis(3-hydroxypropyl)azanium hydroxide (PubChem CID 22731865) has the molecular formula C10H25NO3 and a molecular weight of 207.31 g/mol. Its IUPAC name is diethyl-bis(3-hydroxypropyl)azanium hydroxide.

Molecular Properties

Compound Namediethyl-bis(3-hydroxypropyl)azanium hydroxide
PubChem CID22731865
Molecular FormulaC10H25NO3
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Namediethyl-bis(3-hydroxypropyl)azanium hydroxide
SMILESCC[N+](CC)(CCCO)CCCO.[OH-]
InChIInChI=1S/C10H24NO2.H2O/c1-3-11(4-2,7-5-9-12)8-6-10-13;/h12-13H,3-10H2,1-2H3;1H2/q+1;/p-1
InChIKeyFAUSJJKRHFIRDP-UHFFFAOYSA-M
XLogP0.43
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethyl(11-hydroxyundecyl)azanium bromide
CID 71366854
dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)
CID 22013492
diethyl-(3-hydroxypropyl)-(3-trimethoxysilylpropyl)azanium chloride
CID 153332898
triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide
CID 21150177
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
tetrakis(3-hydroxypropyl)azanium chloride
CID 19093166
butyl-(3-hydroxypropyl)-dipentylazanium bromide
CID 139955349
hexan-1-ol;tetraethylazanium;hydroxide
CID 175514121
dibutyl(diethyl)azanium;titanium
CID 175271824
nickel(2+);tetrakis(4-hydroxybutyl)azanium
CID 159796209
didodecyl(diethyl)azanium hydroxide
CID 87834319
butyl-hexyl-(3-hydroxypropyl)-pentylazanium chloride
CID 139954430

Frequently Asked Questions

What is the IUPAC name of diethyl-bis(3-hydroxypropyl)azanium hydroxide?
The IUPAC name of diethyl-bis(3-hydroxypropyl)azanium hydroxide (CID 22731865) is diethyl-bis(3-hydroxypropyl)azanium hydroxide.
What is the SMILES notation for diethyl-bis(3-hydroxypropyl)azanium hydroxide?
The canonical SMILES for diethyl-bis(3-hydroxypropyl)azanium hydroxide is CC[N+](CC)(CCCO)CCCO.[OH-].
What is the InChIKey of diethyl-bis(3-hydroxypropyl)azanium hydroxide?
The InChIKey is FAUSJJKRHFIRDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO2.H2O/c1-3-11(4-2,7-5-9-12)8-6-10-13;/h12-13H,3-10H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of diethyl-bis(3-hydroxypropyl)azanium hydroxide?
diethyl-bis(3-hydroxypropyl)azanium hydroxide has a molecular weight of 207.31 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(3-hydroxypropyl)azanium hydroxide is sourced from PubChem (CID 22731865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).