About hexa-2,4-diyne-1,6-diamine
hexa-2,4-diyne-1,6-diamine (PubChem CID 10057458) has the molecular formula C6H8N2
and a molecular weight of 108.14 g/mol. Its IUPAC name is hexa-2,4-diyne-1,6-diamine.
Molecular Properties
| Compound Name | hexa-2,4-diyne-1,6-diamine |
|---|
| PubChem CID | 10057458 |
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| Molecular Formula | C6H8N2 |
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| Molecular Weight | 108.14 g/mol |
|---|
| Exact Mass | 108.07 |
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| IUPAC Name | hexa-2,4-diyne-1,6-diamine |
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| SMILES | NCC#CC#CCN |
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| InChI | InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h5-8H2 |
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| InChIKey | AIYPMVLGZIAKRM-UHFFFAOYSA-N |
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| XLogP | -1.09 |
|---|
| 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 | |
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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 | 108.14 |
| LogP ≤ 5 | -1.09 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of hexa-2,4-diyne-1,6-diamine?
The IUPAC name of hexa-2,4-diyne-1,6-diamine (CID 10057458) is hexa-2,4-diyne-1,6-diamine.
What is the SMILES notation for hexa-2,4-diyne-1,6-diamine?
The canonical SMILES for hexa-2,4-diyne-1,6-diamine is NCC#CC#CCN.
What is the InChIKey of hexa-2,4-diyne-1,6-diamine?
The InChIKey is AIYPMVLGZIAKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h5-8H2.
What are the key properties of hexa-2,4-diyne-1,6-diamine?
hexa-2,4-diyne-1,6-diamine has a molecular weight of 108.14 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-diyne-1,6-diamine is sourced from PubChem (CID 10057458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).