20360262 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 17 17 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 27 27 27 29 29 29 30 30 31 31 31 32 32 32 6 18 7 18 26 28 28 30 29 31 32 8 9 33 10 11 34 12 35 36 13 37 38 14 39 40 15 41 42 16 43 44 16 45 46 17 47 48 17 49 50 51 52 53 54 20 21 55 56 22 57 58 23 59 60 24 61 62 25 63 64 26 65 66 27 67 68 69 70 71 72 73 30 74 75 76 77 78 79 80 81 82 83 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 6.1661 7.8982 5.7331 4.001 1.403 6.1661 7.8982 5.3001 7.0321 8.7642 7.0321 5.3001 7.0321 8.7642 7.0321 6.1661 7.8982 7.0321 10.0632 9.1972 10.9292 8.3312 11.7953 7.4651 12.6613 6.5991 13.5273 4.8671 2.269 3.135 0.5369 1.403 6.703 8.4351 5.088 4.6895 7.6427 7.2442 8.9762 9.3748 6.4216 6.8201 4.6895 5.088 7.2442 7.6427 9.3748 8.9762 6.8201 6.4216 5.7676 6.5646 8.2967 7.4996 10.4617 9.6647 8.7987 9.5957 10.5307 11.3278 8.7297 7.9326 12.1938 11.3967 7.0666 7.8637 12.2628 13.0598 6.9976 6.2006 13.8373 14.0643 13.2173 2.6675 1.8705 2.7365 3.5335 0.8469 0 0.2269 0.783 1.403 2.023 8.1319 9.1319 1.12 2.12 1.62 7.1319 10.1319 6.6319 6.6319 10.6319 10.6319 5.6319 5.6319 11.6319 11.6319 5.1319 12.1319 8.6319 1.62 1.12 1.12 1.62 1.62 1.12 1.12 1.62 1.62 1.62 2.12 1.62 2.12 0.62 7.4419 9.8219 7.2145 6.5242 6.5242 7.2145 10.0493 10.7395 10.7395 10.0493 5.7396 5.0493 5.0493 5.7396 11.5242 12.2145 12.2145 11.5242 4.6569 4.6569 12.6068 12.6068 2.095 2.095 0.6451 0.6451 0.6451 0.6451 2.095 2.095 2.095 2.095 0.6451 0.6451 0.6451 0.6451 2.095 2.095 1.0831 1.93 2.1569 2.595 2.595 1.145 1.145 2.6569 2.43 1.5831 0.62 0 0.62 0 Compound Canonicalized 5 2021.05.07 0 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 407 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 13 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07B8000000000000000000000000000000000000000306000000000000000000000001C00000000000828C100040300030000002000000024000000000000000000000800000040020080001000000000000000011080800000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H29N3.C13H22N2/c1-4-5-6-7-8-9-10-11-15-14-16-12-13-17(2)3;1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h4-13H2,1-3H3;12-13H,1-10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BDBXRUDJRMJSIJ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 445.41444665 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C27H51N5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 445.7 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCN=C=NCCN(C)C.C1CCC(CC1)N=C=NC2CCCCC2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCN=C=NCCN(C)C.C1CCC(CC1)N=C=NC2CCCCC2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 52.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 445.41444665 32 0 0 0 0 0 0 0 2 -1