7558 -OEChem-10051720503D 32 32 0 1 0 0 0 0 0999 V2000 -2.3002 0.4848 -0.8625 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 -0.3335 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 0.7162 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6861 -1.3035 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7317 -1.0937 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1866 1.4535 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -0.5628 -0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 0.4857 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 -0.1949 0.3890 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1695 -1.0233 0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 1.3714 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 0.1861 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0344 0.2377 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1171 1.4689 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 -2.0020 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8685 -1.9069 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5393 -1.6172 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 -1.8749 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4613 2.1486 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 2.0565 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 -0.0768 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 -1.2800 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 1.0424 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -0.0140 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 0.5411 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 -1.6567 1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5271 -1.6877 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 -0.4025 1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 -0.1953 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 0.8323 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 2.0175 -1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3134 2.0306 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 M END > DB06714 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JCRIVQIOJSSCQD-UHFFFAOYSA-N/SDF?record_type=3d > CNC(C)CC1CCCCC1 > InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3 > JCRIVQIOJSSCQD-UHFFFAOYSA-N > C10H21N > 155.2804 > 155.167399677 > 1 > 32 > 0.9997568478152866 > 20.26660732481497 > 1 > 1 > 0 > 0 > (1-cyclohexylpropan-2-yl)(methyl)amine > 3.37 > 2.7045947563333326 > -3.23 > 0 > 1 > 1 > 1 > 10.614016211465927 > 12.03 > 49.535199999999996 > 3 > 1 > 9.04e-02 g/l > tetrahydrofolic acid > 1 $$$$