About 2-azidododecane
2-azidododecane (PubChem CID 86195872) has the molecular formula C12H25N3
and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-azidododecane.
Molecular Properties
| Compound Name | 2-azidododecane |
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| PubChem CID | 86195872 |
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| Molecular Formula | C12H25N3 |
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| Molecular Weight | 211.35 g/mol |
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| Exact Mass | 211.20 |
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| IUPAC Name | 2-azidododecane |
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| SMILES | CCCCCCCCCCC(C)N=[N+]=[N-] |
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| InChI | InChI=1S/C12H25N3/c1-3-4-5-6-7-8-9-10-11-12(2)14-15-13/h12H,3-11H2,1-2H3 |
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| InChIKey | CWVZAAJLEZJGJL-UHFFFAOYSA-N |
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| XLogP | 5.22 |
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| TPSA | 48.76 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 211.35 |
| LogP ≤ 5 | 5.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-azidododecane?
The IUPAC name of 2-azidododecane (CID 86195872) is 2-azidododecane.
What is the SMILES notation for 2-azidododecane?
The canonical SMILES for 2-azidododecane is CCCCCCCCCCC(C)N=[N+]=[N-].
What is the InChIKey of 2-azidododecane?
The InChIKey is CWVZAAJLEZJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-4-5-6-7-8-9-10-11-12(2)14-15-13/h12H,3-11H2,1-2H3.
What are the key properties of 2-azidododecane?
2-azidododecane has a molecular weight of 211.35 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidododecane is sourced from PubChem (CID 86195872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).