About 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine
5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine (PubChem CID 121374351) has the molecular formula C11H15N3O
and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine.
Molecular Properties
| Compound Name | 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine |
| PubChem CID | 121374351 |
| Molecular Formula | C11H15N3O |
| Molecular Weight | 205.26 g/mol |
| Exact Mass | 205.12 |
| IUPAC Name | 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine |
| SMILES | Nc1ccc(N2C3CCC2COC3)cn1 |
| InChI | InChI=1S/C11H15N3O/c12-11-4-3-8(5-13-11)14-9-1-2-10(14)7-15-6-9/h3-5,9-10H,1-2,6-7H2,(H2,12,13) |
| InChIKey | IQARQXHRNASEBZ-UHFFFAOYSA-N |
| XLogP | 1.03 |
| TPSA | 51.38 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 205.26 |
| LogP ≤ 5 | 1.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
The IUPAC name of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine (CID 121374351) is 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine.
What is the SMILES notation for 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
The canonical SMILES for 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine is Nc1ccc(N2C3CCC2COC3)cn1.
What is the InChIKey of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
The InChIKey is IQARQXHRNASEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11-4-3-8(5-13-11)14-9-1-2-10(14)7-15-6-9/h3-5,9-10H,1-2,6-7H2,(H2,12,13).
What are the key properties of 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine?
5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridin-2-amine is sourced from PubChem (CID 121374351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).