About [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine
[3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine (PubChem CID 105265873) has the molecular formula C13H25N3
and a molecular weight of 223.36 g/mol. Its IUPAC name is [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine.
Molecular Properties
| Compound Name | [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine |
| PubChem CID | 105265873 |
| Molecular Formula | C13H25N3 |
| Molecular Weight | 223.36 g/mol |
| Exact Mass | 223.20 |
| IUPAC Name | [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine |
| SMILES | C=C(C)CC(NN)C1CC2CCC(C1)N2C |
| InChI | InChI=1S/C13H25N3/c1-9(2)6-13(15-14)10-7-11-4-5-12(8-10)16(11)3/h10-13,15H,1,4-8,14H2,2-3H3 |
| InChIKey | WGZHTSQMYBMYNE-UHFFFAOYSA-N |
| XLogP | 1.66 |
| TPSA | 41.29 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 223.36 |
| LogP ≤ 5 | 1.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine (CID 105265873) is [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine is C=C(C)CC(NN)C1CC2CCC(C1)N2C.
What is the InChIKey of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine?
The InChIKey is WGZHTSQMYBMYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)6-13(15-14)10-7-11-4-5-12(8-10)16(11)3/h10-13,15H,1,4-8,14H2,2-3H3.
What are the key properties of [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine?
[3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine has a molecular weight of 223.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-enyl]hydrazine is sourced from PubChem (CID 105265873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).