About 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 171748286) has the molecular formula C27H48FN3
and a molecular weight of 433.70 g/mol. Its IUPAC name is 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.
Molecular Properties
| Compound Name | 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane |
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| PubChem CID | 171748286 |
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| Molecular Formula | C27H48FN3 |
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| Molecular Weight | 433.70 g/mol |
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| Exact Mass | 433.38 |
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| IUPAC Name | 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane |
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| SMILES | CC(C)CC1(CN2CC3(CCC(F)(CN4CC5(CCN(C(C)C)CC5)C4)CC3)C2)CC1 |
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| InChI | InChI=1S/C27H48FN3/c1-22(2)15-24(5-6-24)16-29-17-25(18-29)7-9-27(28,10-8-25)21-30-19-26(20-30)11-13-31(14-12-26)23(3)4/h22-23H,5-21H2,1-4H3 |
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| InChIKey | FXIUBDDTKWVTHI-UHFFFAOYSA-N |
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| XLogP | 5.20 |
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| TPSA | 9.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 433.70 |
| LogP ≤ 5 | 5.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 171748286) is 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CC3(CCC(F)(CN4CC5(CCN(C(C)C)CC5)C4)CC3)C2)CC1.
What is the InChIKey of 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is FXIUBDDTKWVTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48FN3/c1-22(2)15-24(5-6-24)16-29-17-25(18-29)7-9-27(28,10-8-25)21-30-19-26(20-30)11-13-31(14-12-26)23(3)4/h22-23H,5-21H2,1-4H3.
What are the key properties of 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 433.70 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171748286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).