7-(Methylsulfinyl)heptylamine
PubChem CID: 121232645
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| Compound Synonyms | 7-(methylsulfinyl)heptylamine, 7-methanesulfinylheptan-1-amine, 7-MeSO-heptyl-NH2, CHEBI:91155, 7-(methanesulfinyl)heptan-1-amine, 7-(methylsulfinyl)-1-aminoheptane, Q27163091 |
|---|---|
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 106.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methylsulfinylheptan-1-amine |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Is Pains | False |
| Molecular Formula | C8H19NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | NEMIGFQIONIZCH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 7.0 |
| Compound Name | 7-(Methylsulfinyl)heptylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.119 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 177.119 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6978405999999999 |
| Inchi | InChI=1S/C8H19NOS/c1-11(10)8-6-4-2-3-5-7-9/h2-9H2,1H3 |
| Smiles | CS(=O)CCCCCCCN |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients