2-amino-N-methylheptanamide
PubChem CID: 20719176
Connections displayed (default: 10).
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| Compound Synonyms | 2-amino-N-methylheptanamide, SCHEMBL13311872, YLBHPLDJISPYOJ-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 55.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-N-methylheptanamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Is Pains | False |
| Molecular Formula | C8H18N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | YLBHPLDJISPYOJ-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 2-amino-N-methylheptanamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 158.142 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 158.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 158.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.055119 |
| Inchi | InChI=1S/C8H18N2O/c1-3-4-5-6-7(9)8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11) |
| Smiles | CCCCCC(C(=O)NC)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients