About 2,5,9-trimethylazecine
2,5,9-trimethylazecine (PubChem CID 144887910) has the molecular formula C12H15N
and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,5,9-trimethylazecine.
Molecular Properties
| Compound Name | 2,5,9-trimethylazecine |
|---|
| PubChem CID | 144887910 |
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| Molecular Formula | C12H15N |
|---|
| Molecular Weight | 173.26 g/mol |
|---|
| Exact Mass | 173.12 |
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| IUPAC Name | 2,5,9-trimethylazecine |
|---|
| SMILES | Cc1cccc(C)cnc(C)cc1 |
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| InChI | InChI=1S/C12H15N/c1-10-5-4-6-11(2)9-13-12(3)8-7-10/h4-9H,1-3H3/b5-4+,6-4+,8-7-,10-5-,10-7-,11-6-,11-9-,12-8+,13-9-,13-12+ |
|---|
| InChIKey | HQEPGADAHIYTDH-SRQJCGFQSA-N |
|---|
| XLogP | 3.13 |
|---|
| TPSA | 12.89 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 13 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 173.26 |
| LogP ≤ 5 | 3.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2,5,9-trimethylazecine?
The IUPAC name of 2,5,9-trimethylazecine (CID 144887910) is 2,5,9-trimethylazecine.
What is the SMILES notation for 2,5,9-trimethylazecine?
The canonical SMILES for 2,5,9-trimethylazecine is Cc1cccc(C)cnc(C)cc1.
What is the InChIKey of 2,5,9-trimethylazecine?
The InChIKey is HQEPGADAHIYTDH-SRQJCGFQSA-N. The full InChI is InChI=1S/C12H15N/c1-10-5-4-6-11(2)9-13-12(3)8-7-10/h4-9H,1-3H3/b5-4+,6-4+,8-7-,10-5-,10-7-,11-6-,11-9-,12-8+,13-9-,13-12+.
What are the key properties of 2,5,9-trimethylazecine?
2,5,9-trimethylazecine has a molecular weight of 173.26 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-trimethylazecine is sourced from PubChem (CID 144887910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).