About 6-ethoxy-1-azaspiro[3.3]heptane
6-ethoxy-1-azaspiro[3.3]heptane (PubChem CID 106824536) has the molecular formula C8H15NO
and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-ethoxy-1-azaspiro[3.3]heptane.
Molecular Properties
| Compound Name | 6-ethoxy-1-azaspiro[3.3]heptane |
| PubChem CID | 106824536 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.21 g/mol |
| Exact Mass | 141.12 |
| IUPAC Name | 6-ethoxy-1-azaspiro[3.3]heptane |
| SMILES | CCOC1CC2(CCN2)C1 |
| InChI | InChI=1S/C8H15NO/c1-2-10-7-5-8(6-7)3-4-9-8/h7,9H,2-6H2,1H3 |
| InChIKey | QLVJDPOERYHIOI-UHFFFAOYSA-N |
| XLogP | 0.92 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 141.21 |
| LogP ≤ 5 | 0.92 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 6-ethoxy-1-azaspiro[3.3]heptane?
The IUPAC name of 6-ethoxy-1-azaspiro[3.3]heptane (CID 106824536) is 6-ethoxy-1-azaspiro[3.3]heptane.
What is the SMILES notation for 6-ethoxy-1-azaspiro[3.3]heptane?
The canonical SMILES for 6-ethoxy-1-azaspiro[3.3]heptane is CCOC1CC2(CCN2)C1.
What is the InChIKey of 6-ethoxy-1-azaspiro[3.3]heptane?
The InChIKey is QLVJDPOERYHIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-10-7-5-8(6-7)3-4-9-8/h7,9H,2-6H2,1H3.
What are the key properties of 6-ethoxy-1-azaspiro[3.3]heptane?
6-ethoxy-1-azaspiro[3.3]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-azaspiro[3.3]heptane is sourced from PubChem (CID 106824536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).