A1CVF
Summary
| Name: | N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine |
| Formula: | C14 H23 N3 |
| Formal charge: | 0 |
| Formula weight: | 233.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN1CCCN(CC1)c1ccc(CNC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H23N3/c1-15-12-13-4-6-14(7-5-13)17-9-3-8-16(2)10-11-17/h4-7,15H,3,8-12H2,1-2H3 |
| InChIKey | InChI | 1.06 | NOEOYDRQGMQWID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCN(C)CC2 |
| SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCN(C)CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNCc1ccc(cc1)N2CCCN(CC2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNCc1ccc(cc1)N2CCCN(CC2)C |
