About N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine
N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine (PubChem CID 87672155) has the molecular formula C4H13N5
and a molecular weight of 131.18 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine.
Molecular Properties
| Compound Name | N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine |
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| PubChem CID | 87672155 |
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| Molecular Formula | C4H13N5 |
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| Molecular Weight | 131.18 g/mol |
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| Exact Mass | 131.12 |
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| IUPAC Name | N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine |
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| SMILES | [H]/N=N/N(CCN)CCN |
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| InChI | InChI=1S/C4H13N5/c5-1-3-9(8-7)4-2-6/h7H,1-6H2/b8-7+ |
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| InChIKey | YBLQDITXRDETNA-BQYQJAHWSA-N |
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| XLogP | -0.85 |
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| TPSA | 91.49 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 9 |
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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 | 131.18 |
| LogP ≤ 5 | -0.85 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', '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'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine (CID 87672155) is N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine is [H]/N=N/N(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine?
The InChIKey is YBLQDITXRDETNA-BQYQJAHWSA-N. The full InChI is InChI=1S/C4H13N5/c5-1-3-9(8-7)4-2-6/h7H,1-6H2/b8-7+.
What are the key properties of N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine?
N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine has a molecular weight of 131.18 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine is sourced from PubChem (CID 87672155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).