A1EM9
Summary
| Name: | [4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine |
| Formula: | C13 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 219.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H21N3/c1-15-7-2-8-16(10-9-15)13-5-3-12(11-14)4-6-13/h3-6H,2,7-11,14H2,1H3 |
| InChIKey | InChI | 1.06 | GYRJZJZERXFNLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)c2ccc(CN)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCCN(CC1)c2ccc(CN)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCCN(CC1)c2ccc(cc2)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCCN(CC1)c2ccc(cc2)CN |
