About 2,9-dimethyl-1H-azonine
2,9-dimethyl-1H-azonine (PubChem CID 130413615) has the molecular formula C10H13N
and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,9-dimethyl-1H-azonine.
Molecular Properties
| Compound Name | 2,9-dimethyl-1H-azonine |
|---|
| PubChem CID | 130413615 |
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| Molecular Formula | C10H13N |
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| Molecular Weight | 147.22 g/mol |
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| Exact Mass | 147.10 |
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| IUPAC Name | 2,9-dimethyl-1H-azonine |
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| SMILES | Cc1ccccccc(C)[nH]1 |
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| InChI | InChI=1S/C10H13N/c1-9-7-5-3-4-6-8-10(2)11-9/h3-8,11H,1-2H3/b5-3-,6-4-,9-7-,10-8- |
|---|
| InChIKey | SWQQGWROIUWFFF-RSIYVSQUSA-N |
|---|
| XLogP | 2.76 |
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| TPSA | 15.79 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 147.22 |
| LogP ≤ 5 | 2.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 2,9-dimethyl-1H-azonine?
The IUPAC name of 2,9-dimethyl-1H-azonine (CID 130413615) is 2,9-dimethyl-1H-azonine.
What is the SMILES notation for 2,9-dimethyl-1H-azonine?
The canonical SMILES for 2,9-dimethyl-1H-azonine is Cc1ccccccc(C)[nH]1.
What is the InChIKey of 2,9-dimethyl-1H-azonine?
The InChIKey is SWQQGWROIUWFFF-RSIYVSQUSA-N. The full InChI is InChI=1S/C10H13N/c1-9-7-5-3-4-6-8-10(2)11-9/h3-8,11H,1-2H3/b5-3-,6-4-,9-7-,10-8-.
What are the key properties of 2,9-dimethyl-1H-azonine?
2,9-dimethyl-1H-azonine has a molecular weight of 147.22 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1H-azonine is sourced from PubChem (CID 130413615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).