N-Methylpropandiamin
PubChem CID: 22182297
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| Compound Synonyms | N-Methylpropandiamin |
|---|---|
| Topological Polar Surface Area | 38.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 28.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-N'-methylpropane-1,1-diamine |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C4H12N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMMKTOYORLTRPN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.888 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.868 |
| Compound Name | N-Methylpropandiamin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 88.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 88.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.1978547999999999 |
| Inchi | InChI=1S/C4H12N2/c1-3-4(5)6-2/h4,6H,3,5H2,1-2H3 |
| Smiles | CCC(N)NC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients