About 2-methylphosphanylethanamine
2-methylphosphanylethanamine (PubChem CID 55290290) has the molecular formula C3H10NP
and a molecular weight of 91.09 g/mol. Its IUPAC name is 2-methylphosphanylethanamine.
Molecular Properties
| Compound Name | 2-methylphosphanylethanamine |
| PubChem CID | 55290290 |
| Molecular Formula | C3H10NP |
| Molecular Weight | 91.09 g/mol |
| Exact Mass | 91.06 |
| IUPAC Name | 2-methylphosphanylethanamine |
| SMILES | CPCCN |
| InChI | InChI=1S/C3H10NP/c1-5-3-2-4/h5H,2-4H2,1H3 |
| InChIKey | SDITXGGMOSQZNV-UHFFFAOYSA-N |
| XLogP | 0.25 |
| TPSA | 26.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 5 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 91.09 |
| LogP ≤ 5 | 0.25 |
| 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 2-methylphosphanylethanamine?
The IUPAC name of 2-methylphosphanylethanamine (CID 55290290) is 2-methylphosphanylethanamine.
What is the SMILES notation for 2-methylphosphanylethanamine?
The canonical SMILES for 2-methylphosphanylethanamine is CPCCN.
What is the InChIKey of 2-methylphosphanylethanamine?
The InChIKey is SDITXGGMOSQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NP/c1-5-3-2-4/h5H,2-4H2,1H3.
What are the key properties of 2-methylphosphanylethanamine?
2-methylphosphanylethanamine has a molecular weight of 91.09 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphosphanylethanamine is sourced from PubChem (CID 55290290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).