diethyl-(2-hydroxyethyl)-methoxyazanium

C7H18NO2+ — CID 16735613

IUPACdiethyl-(2-hydroxyethyl)-methoxyazanium
SMILESCC[N+](CC)(CCO)OC
InChIInChI=1S/C7H18NO2/c1-4-8(5-2,10-3)6-7-9/h9H,4-7H2,1-3H3/q+1
InChIKeyXRYCCRFZNFBESV-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.40
Rot. Bonds5

About diethyl-(2-hydroxyethyl)-methoxyazanium

diethyl-(2-hydroxyethyl)-methoxyazanium (PubChem CID 16735613) has the molecular formula C7H18NO2+ and a molecular weight of 148.23 g/mol. Its IUPAC name is diethyl-(2-hydroxyethyl)-methoxyazanium.

Molecular Properties

Compound Namediethyl-(2-hydroxyethyl)-methoxyazanium
PubChem CID16735613
Molecular FormulaC7H18NO2+
Molecular Weight148.23 g/mol
Exact Mass148.13
IUPAC Namediethyl-(2-hydroxyethyl)-methoxyazanium
SMILESCC[N+](CC)(CCO)OC
InChIInChI=1S/C7H18NO2/c1-4-8(5-2,10-3)6-7-9/h9H,4-7H2,1-3H3/q+1
InChIKeyXRYCCRFZNFBESV-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-(2-hydroxyethyl)-methoxyazanium?
The IUPAC name of diethyl-(2-hydroxyethyl)-methoxyazanium (CID 16735613) is diethyl-(2-hydroxyethyl)-methoxyazanium.
What is the SMILES notation for diethyl-(2-hydroxyethyl)-methoxyazanium?
The canonical SMILES for diethyl-(2-hydroxyethyl)-methoxyazanium is CC[N+](CC)(CCO)OC.
What is the InChIKey of diethyl-(2-hydroxyethyl)-methoxyazanium?
The InChIKey is XRYCCRFZNFBESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO2/c1-4-8(5-2,10-3)6-7-9/h9H,4-7H2,1-3H3/q+1.
What are the key properties of diethyl-(2-hydroxyethyl)-methoxyazanium?
diethyl-(2-hydroxyethyl)-methoxyazanium has a molecular weight of 148.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-hydroxyethyl)-methoxyazanium is sourced from PubChem (CID 16735613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).