triethyl(2-methoxyethyl)azanium

C9H22NO+ — CID 3026728

IUPACtriethyl(2-methoxyethyl)azanium
SMILESCC[N+](CC)(CC)CCOC
InChIInChI=1S/C9H22NO/c1-5-10(6-2,7-3)8-9-11-4/h5-9H2,1-4H3/q+1
InChIKeyDLXHXAPHMVWFGO-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.51
Rot. Bonds6

About triethyl(2-methoxyethyl)azanium

triethyl(2-methoxyethyl)azanium (PubChem CID 3026728) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is triethyl(2-methoxyethyl)azanium.

Molecular Properties

Compound Nametriethyl(2-methoxyethyl)azanium
PubChem CID3026728
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Nametriethyl(2-methoxyethyl)azanium
SMILESCC[N+](CC)(CC)CCOC
InChIInChI=1S/C9H22NO/c1-5-10(6-2,7-3)8-9-11-4/h5-9H2,1-4H3/q+1
InChIKeyDLXHXAPHMVWFGO-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(2-methoxyethyl)azanium?
The IUPAC name of triethyl(2-methoxyethyl)azanium (CID 3026728) is triethyl(2-methoxyethyl)azanium.
What is the SMILES notation for triethyl(2-methoxyethyl)azanium?
The canonical SMILES for triethyl(2-methoxyethyl)azanium is CC[N+](CC)(CC)CCOC.
What is the InChIKey of triethyl(2-methoxyethyl)azanium?
The InChIKey is DLXHXAPHMVWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-5-10(6-2,7-3)8-9-11-4/h5-9H2,1-4H3/q+1.
What are the key properties of triethyl(2-methoxyethyl)azanium?
triethyl(2-methoxyethyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-methoxyethyl)azanium is sourced from PubChem (CID 3026728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).