About N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine
N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine (PubChem CID 23213953) has the molecular formula C4H12N4
and a molecular weight of 116.17 g/mol. Its IUPAC name is N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine.
Molecular Properties
| Compound Name | N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine |
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| PubChem CID | 23213953 |
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| Molecular Formula | C4H12N4 |
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| Molecular Weight | 116.17 g/mol |
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| Exact Mass | 116.11 |
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| IUPAC Name | N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine |
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| SMILES | C/N=N/NCCNC |
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| InChI | InChI=1S/C4H12N4/c1-5-3-4-7-8-6-2/h5H,3-4H2,1-2H3,(H,6,7) |
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| InChIKey | QYTLOHPDGZBYQW-UHFFFAOYSA-N |
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| XLogP | -0.21 |
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| TPSA | 48.78 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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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 |
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| MW ≤ 500 | 116.17 |
| LogP ≤ 5 | -0.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine (CID 23213953) is N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine is C/N=N/NCCNC.
What is the InChIKey of N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine?
The InChIKey is QYTLOHPDGZBYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-5-3-4-7-8-6-2/h5H,3-4H2,1-2H3,(H,6,7).
What are the key properties of N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine?
N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine has a molecular weight of 116.17 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine is sourced from PubChem (CID 23213953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).