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 Name | triethyl(2-methoxyethyl)azanium |
| PubChem CID | 3026728 |
| Molecular Formula | C9H22NO+ |
| Molecular Weight | 160.28 g/mol |
| Exact Mass | 160.17 |
| IUPAC Name | triethyl(2-methoxyethyl)azanium |
| SMILES | CC[N+](CC)(CC)CCOC |
| InChI | InChI=1S/C9H22NO/c1-5-10(6-2,7-3)8-9-11-4/h5-9H2,1-4H3/q+1 |
| InChIKey | DLXHXAPHMVWFGO-UHFFFAOYSA-N |
| XLogP | 1.51 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 160.28 |
| LogP ≤ 5 | 1.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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).