diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium

C12H28NO3+ — CID 59153551

IUPACdiethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium
SMILESCC[N+](CC)(CCO)CCOCC(C)OC
InChIInChI=1S/C12H28NO3/c1-5-13(6-2,7-9-14)8-10-16-11-12(3)15-4/h12,14H,5-11H2,1-4H3/q+1
InChIKeyYJJBSTXWPCEDJO-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.89
Rot. Bonds10

About diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium

diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium (PubChem CID 59153551) has the molecular formula C12H28NO3+ and a molecular weight of 234.36 g/mol. Its IUPAC name is diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium.

Molecular Properties

Compound Namediethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium
PubChem CID59153551
Molecular FormulaC12H28NO3+
Molecular Weight234.36 g/mol
Exact Mass234.21
IUPAC Namediethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium
SMILESCC[N+](CC)(CCO)CCOCC(C)OC
InChIInChI=1S/C12H28NO3/c1-5-13(6-2,7-9-14)8-10-16-11-12(3)15-4/h12,14H,5-11H2,1-4H3/q+1
InChIKeyYJJBSTXWPCEDJO-UHFFFAOYSA-N
XLogP0.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
CID 122545429
2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride
CID 86709254
1-ethoxypropan-2-ol;3-methoxybutan-1-ol
CID 161147161
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
2-(2-hydroxyethoxy)ethanol;1-methoxy-2-(2-methoxypropoxy)propane
CID 175459018
2-(2-methoxypropoxy)propan-1-ol;propane-1,2-diol
CID 87149453
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
1-(2-methoxypropoxy)-2-methylpropan-2-ol
CID 157369312
propane-1,2-diol;tetraethylazanium;hydroxide
CID 175392137

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium?
The IUPAC name of diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium (CID 59153551) is diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium.
What is the SMILES notation for diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium?
The canonical SMILES for diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium is CC[N+](CC)(CCO)CCOCC(C)OC.
What is the InChIKey of diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium?
The InChIKey is YJJBSTXWPCEDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO3/c1-5-13(6-2,7-9-14)8-10-16-11-12(3)15-4/h12,14H,5-11H2,1-4H3/q+1.
What are the key properties of diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium?
diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium has a molecular weight of 234.36 g/mol, XLogP of 0.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium is sourced from PubChem (CID 59153551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).