N'-[(3R)-6-(aminomethylideneamino)-1-(3,4-dimethoxyphenyl)hexan-3-yl]methanimidamide
PubChem CID: 163017623
Connections displayed (default: 10).
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| Topological Polar Surface Area | 95.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | N'-[(3R)-6-(aminomethylideneamino)-1-(3,4-dimethoxyphenyl)hexan-3-yl]methanimidamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C16H26N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JVNVHIPXYJPRRV-AWEZNQCLSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.678 |
| Rotatable Bond Count | 10.0 |
| Logd | 1.308 |
| Compound Name | N'-[(3R)-6-(aminomethylideneamino)-1-(3,4-dimethoxyphenyl)hexan-3-yl]methanimidamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.206 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.206 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 306.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.472560181818183 |
| Inchi | InChI=1S/C16H26N4O2/c1-21-15-8-6-13(10-16(15)22-2)5-7-14(20-12-18)4-3-9-19-11-17/h6,8,10-12,14H,3-5,7,9H2,1-2H3,(H2,17,19)(H2,18,20)/t14-/m0/s1 |
| Smiles | COC1=C(C=C(C=C1)CC[C@H](CCCN=CN)N=CN)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angylocalyx Braunii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Archidendron Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Brachychiton Populneum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Chrysocoma Peduncularis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cucumis Myriocarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euphorbia Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Narthecium Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Passiflora Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Passiflora Foetida (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Phebalium Ambiens (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Stachyurus Himalaicus (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Tripterygium Regelii (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Tsuga Diversifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Vernonanthura Pinguis (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Veronica Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Vismia Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Wedelia Scaberrima (Plant) Rel Props:Source_db:cmaup_ingredients