O5X
Summary
| Name: | 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine |
| Formula: | C12 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 203.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 6-[4-(dimethylamino)but-1-ynyl]-4-methyl-pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(C#CCCN(C)C)nc(N)c1 |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,5,7H2,1-3H3,(H2,13,14) |
| InChIKey | InChI | 1.03 | SWAXYJVGMJZMLB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCC#Cc1cc(C)cc(N)n1 |
| SMILES | CACTVS | 3.385 | CN(C)CCC#Cc1cc(C)cc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCCN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)C#CCCN(C)C |
