diethyl(methoxy)azanium

C5H14NO+ — CID 154072490

IUPACdiethyl(methoxy)azanium
SMILESCC[NH+](CC)OC
InChIInChI=1S/C5H13NO/c1-4-6(5-2)7-3/h4-5H2,1-3H3/p+1
InChIKeyNEJNGXMIDTXQPE-UHFFFAOYSA-O
MW104.17 g/mol
LogP-0.53
Rot. Bonds3

About diethyl(methoxy)azanium

diethyl(methoxy)azanium (PubChem CID 154072490) has the molecular formula C5H14NO+ and a molecular weight of 104.17 g/mol. Its IUPAC name is diethyl(methoxy)azanium.

Molecular Properties

Compound Namediethyl(methoxy)azanium
PubChem CID154072490
Molecular FormulaC5H14NO+
Molecular Weight104.17 g/mol
Exact Mass104.11
IUPAC Namediethyl(methoxy)azanium
SMILESCC[NH+](CC)OC
InChIInChI=1S/C5H13NO/c1-4-6(5-2)7-3/h4-5H2,1-3H3/p+1
InChIKeyNEJNGXMIDTXQPE-UHFFFAOYSA-O
XLogP-0.53
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(methoxy)azanium?
The IUPAC name of diethyl(methoxy)azanium (CID 154072490) is diethyl(methoxy)azanium.
What is the SMILES notation for diethyl(methoxy)azanium?
The canonical SMILES for diethyl(methoxy)azanium is CC[NH+](CC)OC.
What is the InChIKey of diethyl(methoxy)azanium?
The InChIKey is NEJNGXMIDTXQPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO/c1-4-6(5-2)7-3/h4-5H2,1-3H3/p+1.
What are the key properties of diethyl(methoxy)azanium?
diethyl(methoxy)azanium has a molecular weight of 104.17 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methoxy)azanium is sourced from PubChem (CID 154072490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).