5R8
Summary
| Name: | [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine |
| Formula: | C14 H23 N3 |
| Formal charge: | 0 |
| Formula weight: | 233.353 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3 |
| InChIKey | InChI | 1.03 | AQLZGQUKWNQYPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCCN(CC1)Cc2ccc(CN)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCCN(CC1)Cc2ccc(CN)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CCCN(CC1)Cc2ccc(cc2)CN |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1CCCN(CC1)Cc2ccc(cc2)CN |
