1,7-Heptanediamine, N,N'-bis(3-aminopropyl)-
PubChem CID: 492218
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| Compound Synonyms | Mdl-26752, 1,7-Heptanediamine, N,N'-bis(3-aminopropyl)-, 3YRT2TER2N, N,N'-bis(3-aminopropyl)heptane-1,7-diamine, 119341-65-0, UNII-3YRT2TER2N, CHEMBL80874, SCHEMBL6030290, DTXSID50152427, N1,N7-Bis(3-aminopropyl)-1,7-heptanediamine, 1,7-Heptanediamine, N, N'-bis(3-aminopropyl)-, 1,7-Heptanediamine, N1,N7-bis(3-aminopropyl)- |
|---|---|
| Topological Polar Surface Area | 76.1 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N'-bis(3-aminopropyl)heptane-1,7-diamine |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C13H32N4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPMJPPVCVHLSGJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.546 |
| Rotatable Bond Count | 14.0 |
| Logd | -1.381 |
| Compound Name | 1,7-Heptanediamine, N,N'-bis(3-aminopropyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.263 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.263 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5385473999999993 |
| Inchi | InChI=1S/C13H32N4/c14-8-6-12-16-10-4-2-1-3-5-11-17-13-7-9-15/h16-17H,1-15H2 |
| Smiles | C(CCCNCCCN)CCCNCCCN |
| 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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Helianthus Tuberosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all