HMDB0031244 RDKit 3D Isobutylpropylamine 25 24 0 0 0 0 0 0 0 0999 V2000 3.5141 0.5715 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2675 -0.2502 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 -0.0851 0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0961 -0.9111 0.7073 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -0.5737 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5397 0.6924 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.4791 1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 0.6950 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 0.4781 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 1.6367 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 0.1001 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 0.0545 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -1.3235 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -0.4485 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 0.9728 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -1.9014 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 -1.3912 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 -0.5115 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 1.6122 -0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -0.5389 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2488 1.1939 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7992 0.5862 1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.2720 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 1.4888 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0111 0.7544 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 M END