Dehydroabietylamine
PubChem CID: 62034
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| Compound Synonyms | 1446-61-3, DEHYDROABIETYLAMINE, (+)-Dehydroabietylamine, Leelamine, Amine D, Caswell No. 276, ((1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine, HSDB 5665, UNII-33289O147P, Dehydroabiethylamine, NSC-2955, EINECS 215-899-7, 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, EPA Pesticide Chemical Code 004206, BRN 3084620, Dehydroabietylamine (>80%), CHEMBL70488, 33289O147P, DTXSID2041834, DEHYDROABIETYLAMINE [HSDB], 13-Isopropylpodocarpa-8,11,13-trien-15-amine, 4-12-00-03005 (Beilstein Handbook Reference), NSC 2955, Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-, 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-, MFCD00213430, Abietylamine, dehydro-, 1-PHENANTHRENEMETHANAMINE 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-,(1R,4AS,10AR)-, D-(+)-Dehydroabietylamine, Rosin amine D (Salt/Mix), [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine, 99306-87-3, lylamine, (1R,4aS,10aR)-1,2,3,4,4a,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)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-, SCHEMBL27863, MLS002207102, (+)-Dehydroabietylamine, tech, DTXCID0021834, CHEBI:93086, NSC2955, 1R-1.alpha.,2,3,4,4a.beta.,9,10,10a.alpha.-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenemethanamine, BDBM50217007, AKOS015914070, CS-W005629, FD20962, HY-W005629, DS-18554, SMR001306713, 13Isopropylpodocarpa8,11,13trien15amine, D1180, D1588, NS00019781, Podocarpa8,11,13trien15amine, 13isopropyl, (+)-Dehydroabietylamine, technical grade, 60%, EN300-7409771, Podocarpa-8,13-trien-15-amine, 13-isopropyl-, BRD-K62289640-003-01-9, BRD-K62289640-003-02-7, Q15409408, Z2216889331, (1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl-1-phenanthrenemethanamine), 13-Isopropyl-podocarpa-8,11,13 -trien-15-amine, (+)-Dehydroabiethylamine, 1-[(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanamine, 1-Phenanthrenemethanamine,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-, 1078140-96-1, 1Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10aoctahydro1,4adimethyl7(1methylethyl), (1R(1alpha,4abeta,10aalpha)), 1R-1alpha,2,3,4,4abeta,9,10,10aalpha-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenemethanamine, 215-899-7, 685-075-3, rel-((1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q15118, Q16236, O75496, Q9NUW8, O75874 |
| Iupac Name | [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Is Pains | False |
| Molecular Formula | C20H31N |
| Prediction Swissadme | 0.0 |
| Inchi Key | JVVXZOOGOGPDRZ-SLFFLAALSA-N |
| Fcsp3 | 0.7 |
| Logs | -5.641 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.389 |
| Compound Name | Dehydroabietylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.246 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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/t18-,19-,20+/m0/s1 |
| Smiles | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all