About 5-methanidyl-5-azaspiro[2.3]hexane
5-methanidyl-5-azaspiro[2.3]hexane (PubChem CID 166016971) has the molecular formula C6H10N-
and a molecular weight of 96.15 g/mol. Its IUPAC name is 5-methanidyl-5-azaspiro[2.3]hexane.
Molecular Properties
| Compound Name | 5-methanidyl-5-azaspiro[2.3]hexane |
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| PubChem CID | 166016971 |
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| Molecular Formula | C6H10N- |
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| Molecular Weight | 96.15 g/mol |
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| Exact Mass | 96.08 |
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| IUPAC Name | 5-methanidyl-5-azaspiro[2.3]hexane |
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| SMILES | [CH2-]N1CC2(CC2)C1 |
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| InChI | InChI=1S/C6H10N/c1-7-4-6(5-7)2-3-6/h1-5H2/q-1 |
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| InChIKey | XUADQDKZCACLIH-UHFFFAOYSA-N |
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| XLogP | 0.87 |
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| 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 | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 96.15 |
| LogP ≤ 5 | 0.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-methanidyl-5-azaspiro[2.3]hexane?
The IUPAC name of 5-methanidyl-5-azaspiro[2.3]hexane (CID 166016971) is 5-methanidyl-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-methanidyl-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-methanidyl-5-azaspiro[2.3]hexane is [CH2-]N1CC2(CC2)C1.
What is the InChIKey of 5-methanidyl-5-azaspiro[2.3]hexane?
The InChIKey is XUADQDKZCACLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N/c1-7-4-6(5-7)2-3-6/h1-5H2/q-1.
What are the key properties of 5-methanidyl-5-azaspiro[2.3]hexane?
5-methanidyl-5-azaspiro[2.3]hexane has a molecular weight of 96.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanidyl-5-azaspiro[2.3]hexane is sourced from PubChem (CID 166016971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).