About N-[bis(phosphanyl)methyl]pyridin-2-amine
N-[bis(phosphanyl)methyl]pyridin-2-amine (PubChem CID 118465849) has the molecular formula C6H10N2P2
and a molecular weight of 172.11 g/mol. Its IUPAC name is N-[bis(phosphanyl)methyl]pyridin-2-amine.
Molecular Properties
| Compound Name | N-[bis(phosphanyl)methyl]pyridin-2-amine |
| PubChem CID | 118465849 |
| Molecular Formula | C6H10N2P2 |
| Molecular Weight | 172.11 g/mol |
| Exact Mass | 172.03 |
| IUPAC Name | N-[bis(phosphanyl)methyl]pyridin-2-amine |
| SMILES | PC(P)Nc1ccccn1 |
| InChI | InChI=1S/C6H10N2P2/c9-6(10)8-5-3-1-2-4-7-5/h1-4,6H,9-10H2,(H,7,8) |
| InChIKey | VANLURCMLNLFHE-UHFFFAOYSA-N |
| XLogP | 1.53 |
| TPSA | 24.92 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 | 172.11 |
| LogP ≤ 5 | 1.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[bis(phosphanyl)methyl]pyridin-2-amine?
The IUPAC name of N-[bis(phosphanyl)methyl]pyridin-2-amine (CID 118465849) is N-[bis(phosphanyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[bis(phosphanyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[bis(phosphanyl)methyl]pyridin-2-amine is PC(P)Nc1ccccn1.
What is the InChIKey of N-[bis(phosphanyl)methyl]pyridin-2-amine?
The InChIKey is VANLURCMLNLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2P2/c9-6(10)8-5-3-1-2-4-7-5/h1-4,6H,9-10H2,(H,7,8).
What are the key properties of N-[bis(phosphanyl)methyl]pyridin-2-amine?
N-[bis(phosphanyl)methyl]pyridin-2-amine has a molecular weight of 172.11 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(phosphanyl)methyl]pyridin-2-amine is sourced from PubChem (CID 118465849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).