VXF
概要
表記: | 1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine |
組成式: | C10 H15 N3 O |
電荷: | 0 |
化学式量: | 193.246 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 | 1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine |
OpenEye OEToolkits | 2.0.7 | (2-morpholin-4-ylpyridin-4-yl)methanamine |
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 | NCc1cc(ncc1)N1CCOCC1 |
InChI | InChI | 1.06 | InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2 |
InChIKey | InChI | 1.06 | NHFVDBCQOZATNT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccnc(c1)N2CCOCC2 |
SMILES | CACTVS | 3.385 | NCc1ccnc(c1)N2CCOCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1CN)N2CCOCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1CN)N2CCOCC2 |