CAS 1423032-36-3

Hexahydro-1,4-dimethyl-1H-1,4-diazepine-2-carbonitrile

Description:

Hexahydro-1,4-dimethyl-1H-1,4-diazepine-2-carbonitrile is a chemical compound characterized by its bicyclic structure, which includes a diazepine ring. This compound features two methyl groups at the 1 and 4 positions of the diazepine, contributing to its unique properties. The presence of a carbonitrile functional group at the 2-position enhances its reactivity and potential applications in organic synthesis. Typically, compounds of this nature exhibit moderate polarity due to the presence of both nitrogen and carbon functional groups, which can influence their solubility in various solvents. Additionally, the hexahydro configuration indicates that the compound is saturated, which may affect its stability and reactivity compared to unsaturated analogs. Hexahydro-1,4-dimethyl-1H-1,4-diazepine-2-carbonitrile may find applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that can interact with biological targets. However, specific biological activity and safety profiles would require further investigation through empirical studies.

Formula: C₈H₁₅N₃

InChI: InChI=1S/C8H15N3/c1-10-4-3-5-11(2)8(6-9)7-10/h8H,3-5,7H2,1-2H3

InChI key: InChIKey=YYISHFQLPFEQOM-UHFFFAOYSA-N

SMILES: C(#N)C1N(C)CCCN(C)C1

Synonyms:

• Hexahydro-1,4-dimethyl-1H-1,4-diazepine-2-carbonitrile
• 1H-1,4-Diazepine-2-carbonitrile, hexahydro-1,4-dimethyl-

1,4-Dimethyl-1,4-diazepane-2-carbonitrile

CAS: 1423032-36-3

Versatile small molecule scaffold

Formula: C₈H₁₅N₃

Purity: Min. 95%

Molecular weight: 153.22 g/mol

Ref: 3D-YGC03236