M8D
Summary
| Name: | 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine |
| Formula: | C22 H27 N3 |
| Formal charge: | 0 |
| Formula weight: | 333.47 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H27N3/c1-2-3-4-9-19-14-20-18(10-6-11-21(20)25-22(19)24)13-16-7-5-8-17(12-16)15-23/h5-8,10-12,14H,2-4,9,13,15,23H2,1H3,(H2,24,25) |
| InChIKey | InChI | 1.03 | MJTYFAQITQYOAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1cc2c(Cc3cccc(CN)c3)cccc2nc1N |
| SMILES | CACTVS | 3.385 | CCCCCc1cc2c(Cc3cccc(CN)c3)cccc2nc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN |
