N,N'-bis(3-aminopropyl)(1,4-13C2)butane-1,4-diamine
PubChem CID: 10655817
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| Topological Polar Surface Area | 76.1 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 86.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N'-bis(3-aminopropyl)(1,4-13C2)butane-1,4-diamine |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C10H26N4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFNFFQXMRSDOHW-BFGUONQLSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.662 |
| Rotatable Bond Count | 11.0 |
| Logd | -2.366 |
| Compound Name | N,N'-bis(3-aminopropyl)(1,4-13C2)butane-1,4-diamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.222 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.222 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3058495999840004 |
| Inchi | InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/i7+1,8+1 |
| Smiles | C(CN)CN[13CH2]CC[13CH2]NCCCN |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Helianthus Tuberosus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients