About 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine
8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine (PubChem CID 56977913) has the molecular formula C8H17N3
and a molecular weight of 155.24 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine.
Molecular Properties
| Compound Name | 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine |
| PubChem CID | 56977913 |
| Molecular Formula | C8H17N3 |
| Molecular Weight | 155.24 g/mol |
| Exact Mass | 155.14 |
| IUPAC Name | 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine |
| SMILES | NNCC1CC2CCC(C1)N2 |
| InChI | InChI=1S/C8H17N3/c9-10-5-6-3-7-1-2-8(4-6)11-7/h6-8,10-11H,1-5,9H2 |
| InChIKey | SXFUGYRINNSUDL-UHFFFAOYSA-N |
| XLogP | -0.02 |
| TPSA | 50.08 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 155.24 |
| LogP ≤ 5 | -0.02 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine (CID 56977913) is 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine is NNCC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine?
The InChIKey is SXFUGYRINNSUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c9-10-5-6-3-7-1-2-8(4-6)11-7/h6-8,10-11H,1-5,9H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine?
8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine has a molecular weight of 155.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethylhydrazine is sourced from PubChem (CID 56977913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).