About 4,8-dimethyl-4,5-dihydroazocine
4,8-dimethyl-4,5-dihydroazocine (PubChem CID 123934195) has the molecular formula C9H13N
and a molecular weight of 135.21 g/mol. Its IUPAC name is 4,8-dimethyl-4,5-dihydroazocine.
Molecular Properties
| Compound Name | 4,8-dimethyl-4,5-dihydroazocine |
|---|
| PubChem CID | 123934195 |
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| Molecular Formula | C9H13N |
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| Molecular Weight | 135.21 g/mol |
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| Exact Mass | 135.10 |
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| IUPAC Name | 4,8-dimethyl-4,5-dihydroazocine |
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| SMILES | C/C1=N/C=CC(C)CC=C1 |
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| InChI | InChI=1S/C9H13N/c1-8-4-3-5-9(2)10-7-6-8/h3,5-8H,4H2,1-2H3/b5-3?,7-6?,10-9- |
|---|
| InChIKey | ROQMNJUPKBYZPP-ORXOFASPSA-N |
|---|
| XLogP | 2.56 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 135.21 |
| LogP ≤ 5 | 2.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4,8-dimethyl-4,5-dihydroazocine?
The IUPAC name of 4,8-dimethyl-4,5-dihydroazocine (CID 123934195) is 4,8-dimethyl-4,5-dihydroazocine.
What is the SMILES notation for 4,8-dimethyl-4,5-dihydroazocine?
The canonical SMILES for 4,8-dimethyl-4,5-dihydroazocine is C/C1=N/C=CC(C)CC=C1.
What is the InChIKey of 4,8-dimethyl-4,5-dihydroazocine?
The InChIKey is ROQMNJUPKBYZPP-ORXOFASPSA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-3-5-9(2)10-7-6-8/h3,5-8H,4H2,1-2H3/b5-3?,7-6?,10-9-.
What are the key properties of 4,8-dimethyl-4,5-dihydroazocine?
4,8-dimethyl-4,5-dihydroazocine has a molecular weight of 135.21 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-4,5-dihydroazocine is sourced from PubChem (CID 123934195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).