4XG
Summary
| Name: | 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| Formula: | C14 H23 N3 |
| Formal charge: | 0 |
| Formula weight: | 233.353 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
| OpenEye OEToolkits | 1.9.2 | 2-[3-(dimethylamino)propyl]-3,4-dihydro-1H-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2N)CCCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H23N3/c1-16(2)8-4-9-17-10-7-12-5-3-6-14(15)13(12)11-17/h3,5-6H,4,7-11,15H2,1-2H3 |
| InChIKey | InChI | 1.03 | HWRKGGXCPROGGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCN1CCc2cccc(N)c2C1 |
| SMILES | CACTVS | 3.385 | CN(C)CCCN1CCc2cccc(N)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)CCCN1CCc2cccc(c2C1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)CCCN1CCc2cccc(c2C1)N |
