About 5,6-dimethyl-5-azabicyclo[2.1.1]hexane
5,6-dimethyl-5-azabicyclo[2.1.1]hexane (PubChem CID 59550543) has the molecular formula C7H13N
and a molecular weight of 111.19 g/mol. Its IUPAC name is 5,6-dimethyl-5-azabicyclo[2.1.1]hexane.
Molecular Properties
| Compound Name | 5,6-dimethyl-5-azabicyclo[2.1.1]hexane |
|---|
| PubChem CID | 59550543 |
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| Molecular Formula | C7H13N |
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| Molecular Weight | 111.19 g/mol |
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| Exact Mass | 111.10 |
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| IUPAC Name | 5,6-dimethyl-5-azabicyclo[2.1.1]hexane |
|---|
| SMILES | CC1C2CCC1N2C |
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| InChI | InChI=1S/C7H13N/c1-5-6-3-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3 |
|---|
| InChIKey | FAVCXAYKXODCMP-UHFFFAOYSA-N |
|---|
| XLogP | 1.10 |
|---|
| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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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 | 111.19 |
| LogP ≤ 5 | 1.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
The IUPAC name of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane (CID 59550543) is 5,6-dimethyl-5-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5,6-dimethyl-5-azabicyclo[2.1.1]hexane is CC1C2CCC1N2C.
What is the InChIKey of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
The InChIKey is FAVCXAYKXODCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6-3-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
5,6-dimethyl-5-azabicyclo[2.1.1]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 59550543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).