24250 -OEChem-10051720333D 30 29 0 0 0 0 0 0 0999 V2000 5.6439 -0.3158 -0.0336 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 0.3110 -0.0171 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.4129 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 0.4157 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 0.4835 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 -0.4807 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 -0.3489 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1689 0.3505 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 0.5026 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4369 -0.5050 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 -1.0640 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6589 -1.0639 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 1.0498 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 1.0834 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 1.1175 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 1.1504 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8668 -1.1008 -0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 -1.1610 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 -0.9547 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1587 -1.0508 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1768 1.0276 -0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1701 0.9825 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 1.1851 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4245 1.1198 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4532 -1.1607 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4379 -1.1460 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6142 -0.9582 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 -0.9022 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6707 0.8958 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4631 -0.2948 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 10 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M END > DB04333 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PWGJDPKCLMLPJW-UHFFFAOYSA-N/SDF?record_type=3d > NCCCCCCCCN > InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2 > PWGJDPKCLMLPJW-UHFFFAOYSA-N > C8H20N2 > 144.2578 > 144.16264865 > 2 > 30 > 1.998444095412137 > 19.354652940008386 > 1 > 2 > 0 > 0 > octane-1,8-diamine > 1.29 > 0.9331543960000004 > -1.77 > 0 > 2 > 0 > 2 > 10.50652737022481 > 52.04 > 45.7826 > 7 > 1 > 2.43e+00 g/l > biotin > 0 $$$$