HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86761908Generated: October 27, 2026
tert-Butyl (3-{[(5-{[(2,2-dimethylpropyl)amino]methyl}-2-thienyl)carbonyl](methyl)amino}propyl)methylcarbamate
https://huagongshe.com/en/chemical/86761908
Identifiers & Physical Properties
| Molecular formula | C21H37N3O3S |
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| Average molar mass | 411.6 g/mol |
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| SMILES | CN(CCCN(C)C(=O)c1ccc(CNCC(C)(C)C)s1)C(=O)OC(C)(C)C |
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| InChIKey | XNMHFOSWLPMVAB-UHFFFAOYSA-N |
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| PubChem CID | 86761908 |
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Chemical & Physical Properties
| XLogP | 3.8 |
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| Topological polar surface area | 90.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 514 |
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![tert-Butyl (3-{[(5-{[(2,2-dimethylpropyl)amino]methyl}-2-thienyl)carbonyl](methyl)amino}propyl)methylcarbamate molecular structure](/img/chemical/86761908.png)