About N',N'-diamino-N-methylethane-1,2-diamine
N',N'-diamino-N-methylethane-1,2-diamine (PubChem CID 20647754) has the molecular formula C3H12N4
and a molecular weight of 104.16 g/mol. Its IUPAC name is N',N'-diamino-N-methylethane-1,2-diamine.
Molecular Properties
| Compound Name | N',N'-diamino-N-methylethane-1,2-diamine |
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| PubChem CID | 20647754 |
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| Molecular Formula | C3H12N4 |
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| Molecular Weight | 104.16 g/mol |
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| Exact Mass | 104.11 |
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| IUPAC Name | N',N'-diamino-N-methylethane-1,2-diamine |
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| SMILES | CNCCN(N)N |
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| InChI | InChI=1S/C3H12N4/c1-6-2-3-7(4)5/h6H,2-5H2,1H3 |
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| InChIKey | BILTYKYDEBMPPL-UHFFFAOYSA-N |
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| XLogP | -1.74 |
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| TPSA | 67.31 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 7 |
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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 | 104.16 |
| LogP ≤ 5 | -1.74 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', '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',N'-diamino-N-methylethane-1,2-diamine?
The IUPAC name of N',N'-diamino-N-methylethane-1,2-diamine (CID 20647754) is N',N'-diamino-N-methylethane-1,2-diamine.
What is the SMILES notation for N',N'-diamino-N-methylethane-1,2-diamine?
The canonical SMILES for N',N'-diamino-N-methylethane-1,2-diamine is CNCCN(N)N.
What is the InChIKey of N',N'-diamino-N-methylethane-1,2-diamine?
The InChIKey is BILTYKYDEBMPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N4/c1-6-2-3-7(4)5/h6H,2-5H2,1H3.
What are the key properties of N',N'-diamino-N-methylethane-1,2-diamine?
N',N'-diamino-N-methylethane-1,2-diamine has a molecular weight of 104.16 g/mol, XLogP of -1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diamino-N-methylethane-1,2-diamine is sourced from PubChem (CID 20647754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).