About N'-deuteriomethanediamine
N'-deuteriomethanediamine (PubChem CID 164738496) has the molecular formula CH6N2
and a molecular weight of 47.08 g/mol. Its IUPAC name is N'-deuteriomethanediamine.
Molecular Properties
| Compound Name | N'-deuteriomethanediamine |
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| PubChem CID | 164738496 |
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| Molecular Formula | CH6N2 |
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| Molecular Weight | 47.08 g/mol |
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| Exact Mass | 47.06 |
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| IUPAC Name | N'-deuteriomethanediamine |
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| SMILES | [2H]NCN |
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| InChI | InChI=1S/CH6N2/c2-1-3/h1-3H2/i/hD |
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| InChIKey | RTWNYYOXLSILQN-DYCDLGHISA-N |
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| XLogP | -1.14 |
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| TPSA | 52.04 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 3 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 47.08 |
| LogP ≤ 5 | -1.14 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-deuteriomethanediamine?
The IUPAC name of N'-deuteriomethanediamine (CID 164738496) is N'-deuteriomethanediamine.
What is the SMILES notation for N'-deuteriomethanediamine?
The canonical SMILES for N'-deuteriomethanediamine is [2H]NCN.
What is the InChIKey of N'-deuteriomethanediamine?
The InChIKey is RTWNYYOXLSILQN-DYCDLGHISA-N. The full InChI is InChI=1S/CH6N2/c2-1-3/h1-3H2/i/hD.
What are the key properties of N'-deuteriomethanediamine?
N'-deuteriomethanediamine has a molecular weight of 47.08 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-deuteriomethanediamine is sourced from PubChem (CID 164738496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).