Pentane-1,5-diamine
PubChem CID: 5351467
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| Compound Synonyms | NSC5862, pentane-1,5-diamine, hydrochloride, 1,5-diaminopentane dihcl, SCHEMBL344248 |
|---|---|
| Topological Polar Surface Area | 52.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 25.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentane-1,5-diamine, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C5H15ClN2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RLNAIWYXIAJDTN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 1.114 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.667 |
| Compound Name | Pentane-1,5-diamine, hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.092 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 138.64 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5741804000000001 |
| Inchi | InChI=1S/C5H14N2.ClH/c6-4-2-1-3-5-7, /h1-7H2, 1H |
| Smiles | C(CCN)CCN.Cl |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sedum Acre (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Trifolium Subterraneum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Uncaria Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients