TL;DR: 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl- (CAS 130422-51-4) is a chemical compound with molecular formula C15H14N6 and molecular weight 278.128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2-(dicyanomethyl)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Also Known As: 2-amino-4-(dicyanomethyl)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl-, 10-amino-8-(dicyanomethyl)-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
| Molecular Formula | C15H14N6 |
| Molecular Weight | 278.128 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.128 Da |
| Heavy Atoms | 21 |
| Complexity | 710.0 |
| SMILES | C1CCC2(CC1)C(=C(NC(=C2C#N)N)C(C#N)C#N)C#N |
| InChIKey | LKAPHTUTRRUVQF-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl-. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl-. Following Lipinski's Rule of Five, 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl- is 130422-51-4.
The molecular formula of 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl- is C15H14N6.
The molecular weight of 3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-amino-4-dicyanomethyl- is 278.128 g/mol.
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