TLX
Summary
| Name: | N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE |
| Formula: | C13 H27 N3 |
| Formal charge: | 0 |
| Formula weight: | 225.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-[(1S,5S,8aR)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[2,1-b]pyrimidin-1-yl]-4-methyl-pentan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N21CCCC1N(CCC2)CC(N)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](N)CN1CCCN2CCC[C@@H]12 |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](N)CN1CCCN2CCC[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(CN1CCCN2C1CCC2)N |
| InChI | InChI | 1.03 | InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | SOQLOPQBSFMPNJ-QWHCGFSZSA-N |
