About N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine
N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine (PubChem CID 20718372) has the molecular formula C3H9I2N2P
and a molecular weight of 357.90 g/mol. Its IUPAC name is N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine.
Molecular Properties
| Compound Name | N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine |
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| PubChem CID | 20718372 |
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| Molecular Formula | C3H9I2N2P |
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| Molecular Weight | 357.90 g/mol |
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| Exact Mass | 357.86 |
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| IUPAC Name | N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine |
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| SMILES | ICNCCNPI |
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| InChI | InChI=1S/C3H9I2N2P/c4-3-6-1-2-7-8-5/h6-8H,1-3H2 |
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| InChIKey | ALBAVLHWPPWCOW-UHFFFAOYSA-N |
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| XLogP | 1.50 |
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| TPSA | 24.06 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 357.90 |
| LogP ≤ 5 | 1.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine?
The IUPAC name of N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine (CID 20718372) is N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine.
What is the SMILES notation for N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine?
The canonical SMILES for N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine is ICNCCNPI.
What is the InChIKey of N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine?
The InChIKey is ALBAVLHWPPWCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9I2N2P/c4-3-6-1-2-7-8-5/h6-8H,1-3H2.
What are the key properties of N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine?
N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine has a molecular weight of 357.90 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-N'-iodophosphanylethane-1,2-diamine is sourced from PubChem (CID 20718372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).