About N-methyl-N'-(phosphanylmethyl)methanediimine
N-methyl-N'-(phosphanylmethyl)methanediimine (PubChem CID 58732083) has the molecular formula C3H7N2P
and a molecular weight of 102.08 g/mol. Its IUPAC name is N-methyl-N'-(phosphanylmethyl)methanediimine.
Molecular Properties
| Compound Name | N-methyl-N'-(phosphanylmethyl)methanediimine |
| PubChem CID | 58732083 |
| Molecular Formula | C3H7N2P |
| Molecular Weight | 102.08 g/mol |
| Exact Mass | 102.03 |
| IUPAC Name | N-methyl-N'-(phosphanylmethyl)methanediimine |
| SMILES | CN=C=NCP |
| InChI | InChI=1S/C3H7N2P/c1-4-2-5-3-6/h3,6H2,1H3 |
| InChIKey | RAMZAQSKVJZZQR-UHFFFAOYSA-N |
| XLogP | 0.62 |
| TPSA | 24.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 6 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 102.08 |
| LogP ≤ 5 | 0.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N'-(phosphanylmethyl)methanediimine?
The IUPAC name of N-methyl-N'-(phosphanylmethyl)methanediimine (CID 58732083) is N-methyl-N'-(phosphanylmethyl)methanediimine.
What is the SMILES notation for N-methyl-N'-(phosphanylmethyl)methanediimine?
The canonical SMILES for N-methyl-N'-(phosphanylmethyl)methanediimine is CN=C=NCP.
What is the InChIKey of N-methyl-N'-(phosphanylmethyl)methanediimine?
The InChIKey is RAMZAQSKVJZZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2P/c1-4-2-5-3-6/h3,6H2,1H3.
What are the key properties of N-methyl-N'-(phosphanylmethyl)methanediimine?
N-methyl-N'-(phosphanylmethyl)methanediimine has a molecular weight of 102.08 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(phosphanylmethyl)methanediimine is sourced from PubChem (CID 58732083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).