JI2
Summary
| Name: | N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine |
| Synonyms: | (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine |
| Formula: | C12 H21 N5 |
| Formal charge: | 0 |
| Formula weight: | 235.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine |
| OpenEye OEToolkits | 1.5.0 | N-[(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl]ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(N)cccc1CC2CNCC2NCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCN[C@@H]1CNC[C@@H]1Cc2cccc(N)n2 |
| SMILES | CACTVS | 3.341 | NCCN[CH]1CNC[CH]1Cc2cccc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(nc(c1)N)CC2CNCC2NCCN |
| InChI | InChI | 1.03 | InChI=1S/C12H21N5/c13-4-5-16-11-8-15-7-9(11)6-10-2-1-3-12(14)17-10/h1-3,9,11,15-16H,4-8,13H2,(H2,14,17)/t9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | BETYXZSFUFTOLC-GXSJLCMTSA-N |
