About 2,5-diazabicyclo[2.1.1]hexane
2,5-diazabicyclo[2.1.1]hexane (PubChem CID 57325154) has the molecular formula C4H8N2
and a molecular weight of 84.12 g/mol. Its IUPAC name is 2,5-diazabicyclo[2.1.1]hexane.
Molecular Properties
| Compound Name | 2,5-diazabicyclo[2.1.1]hexane |
|---|
| PubChem CID | 57325154 |
|---|
| Molecular Formula | C4H8N2 |
|---|
| Molecular Weight | 84.12 g/mol |
|---|
| Exact Mass | 84.07 |
|---|
| IUPAC Name | 2,5-diazabicyclo[2.1.1]hexane |
|---|
| SMILES | C1NC2CC1N2 |
|---|
| InChI | InChI=1S/C4H8N2/c1-3-2-5-4(1)6-3/h3-6H,1-2H2 |
|---|
| InChIKey | RIDWWLRZTJQERR-UHFFFAOYSA-N |
|---|
| XLogP | -0.72 |
|---|
| TPSA | 24.06 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 6 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 84.12 |
| LogP ≤ 5 | -0.72 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,5-diazabicyclo[2.1.1]hexane?
The IUPAC name of 2,5-diazabicyclo[2.1.1]hexane (CID 57325154) is 2,5-diazabicyclo[2.1.1]hexane.
What is the SMILES notation for 2,5-diazabicyclo[2.1.1]hexane?
The canonical SMILES for 2,5-diazabicyclo[2.1.1]hexane is C1NC2CC1N2.
What is the InChIKey of 2,5-diazabicyclo[2.1.1]hexane?
The InChIKey is RIDWWLRZTJQERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-3-2-5-4(1)6-3/h3-6H,1-2H2.
What are the key properties of 2,5-diazabicyclo[2.1.1]hexane?
2,5-diazabicyclo[2.1.1]hexane has a molecular weight of 84.12 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[2.1.1]hexane is sourced from PubChem (CID 57325154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).