About 6-propyl-2-oxa-8-azaspiro[4.5]decane
6-propyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 79321500) has the molecular formula C11H21NO
and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-propyl-2-oxa-8-azaspiro[4.5]decane.
Molecular Properties
| Compound Name | 6-propyl-2-oxa-8-azaspiro[4.5]decane |
| PubChem CID | 79321500 |
| Molecular Formula | C11H21NO |
| Molecular Weight | 183.29 g/mol |
| Exact Mass | 183.16 |
| IUPAC Name | 6-propyl-2-oxa-8-azaspiro[4.5]decane |
| SMILES | CCCC1CNCCC12CCOC2 |
| InChI | InChI=1S/C11H21NO/c1-2-3-10-8-12-6-4-11(10)5-7-13-9-11/h10,12H,2-9H2,1H3 |
| InChIKey | XAYFJAXIZIGAAK-UHFFFAOYSA-N |
| XLogP | 1.80 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 183.29 |
| LogP ≤ 5 | 1.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 6-propyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6-propyl-2-oxa-8-azaspiro[4.5]decane (CID 79321500) is 6-propyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-propyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6-propyl-2-oxa-8-azaspiro[4.5]decane is CCCC1CNCCC12CCOC2.
What is the InChIKey of 6-propyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is XAYFJAXIZIGAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-10-8-12-6-4-11(10)5-7-13-9-11/h10,12H,2-9H2,1H3.
What are the key properties of 6-propyl-2-oxa-8-azaspiro[4.5]decane?
6-propyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 183.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79321500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).