KMI
概要
| 表記: | 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine |
| 組成式: | C14 H17 N3 |
| 電荷: | 0 |
| 化学式量: | 227.305 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-6-[3-(methylaminomethyl)phenyl]pyridin-2-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cc1cc(nc(N)c1)c1cccc(CNC)c1 |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3/c1-10-6-13(17-14(15)7-10)12-5-3-4-11(8-12)9-16-2/h3-8,16H,9H2,1-2H3,(H2,15,17) |
| InChIKey | InChI | 1.03 | QVLCJJWOAMFHSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(c1)c2cc(C)cc(N)n2 |
| SMILES | CACTVS | 3.385 | CNCc1cccc(c1)c2cc(C)cc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cccc(c2)CNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cccc(c2)CNC |
