Ruscopine
PubChem CID: 441579
Connections displayed (default: 10).
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| Compound Synonyms | Ruscopine, 3912-65-0, C08510, N'-[6-(aminomethylideneamino)-1-(3,4-dimethoxyphenyl)hexan-3-yl]methanimidamide, AC1L9BCM, CHEBI:8914, DTXSID90331592, Q27108185, N'-[4-(aminomethyleneamino)-1-[2-(3,4-dimethoxyphenyl)ethyl]butyl]formamidine |
|---|---|
| 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 | 0.0 |
| Iupac Name | N'-[6-(aminomethylideneamino)-1-(3,4-dimethoxyphenyl)hexan-3-yl]methanimidamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Is Pains | False |
| Molecular Formula | C16H26N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JVNVHIPXYJPRRV-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 10.0 |
| Compound Name | Ruscopine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.206 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 | -2.1068601818181816 |
| 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) |
| Smiles | COC1=C(C=C(C=C1)CCC(CCCN=CN)N=CN)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carduus Acanthoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Carduus Crispus (Plant) Rel Props:Source_db:cmaup_ingredients