About 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane
8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane (PubChem CID 143702313) has the molecular formula C8H16NP
and a molecular weight of 157.20 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane.
Molecular Properties
| Compound Name | 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane |
| PubChem CID | 143702313 |
| Molecular Formula | C8H16NP |
| Molecular Weight | 157.20 g/mol |
| Exact Mass | 157.10 |
| IUPAC Name | 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane |
| SMILES | CPC1CC2CCC(C1)N2 |
| InChI | InChI=1S/C8H16NP/c1-10-8-4-6-2-3-7(5-8)9-6/h6-10H,2-5H2,1H3 |
| InChIKey | RBRAQKUIDCGQPV-UHFFFAOYSA-N |
| XLogP | 1.58 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 157.20 |
| LogP ≤ 5 | 1.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane (CID 143702313) is 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane is CPC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane?
The InChIKey is RBRAQKUIDCGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NP/c1-10-8-4-6-2-3-7(5-8)9-6/h6-10H,2-5H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane?
8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane has a molecular weight of 157.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane is sourced from PubChem (CID 143702313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).