Dihydroabietylamine
PubChem CID: 106831
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| Compound Synonyms | Dihydroabietylamine, 24978-68-5, DEHYDROABIETYLAMINE, Abieta-8,11,13-trien-18-amine, (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine, Leelamine, [1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanamine, Abietylamine, dehydro-, 1-[1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanamine, D-(+)-Dehydroabietylamine, Rosin amine D (Salt/Mix), MFCD00213430, 99306-87-3, Dehydroabietylamine-d4Hydrochloride, NCIOpen2_005025, SCHEMBL4943352, CHEMBL1738979, BDBM92342, DTXSID70859648, 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-, 1R-1.alpha.,2,3,4,4a.beta.,9,10,10a.alpha.-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenemethanamine, ALBB-035675, NSC85674, BBL028089, NSC-85674, AKOS002528417, (7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine, (7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine, NSC65238, 5, NCI60_018354, SY008134, VS-08663, DB-017851, EN300-17681, (+)-DEHYDROABIETYLAMINE [OPTICAL RESOLVING AGENT], 1-Phenanthrenemethanamine,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)- |
|---|---|
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Molecular Formula | C20H31N |
| Prediction Swissadme | 0.0 |
| Inchi Key | JVVXZOOGOGPDRZ-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -5.269 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.285 |
| Compound Name | Dihydroabietylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.246 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 285.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0976735714285715 |
| Inchi | InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3 |
| Smiles | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients