24278699 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 8 8 7 7 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 11 11 12 12 12 13 14 14 15 15 16 16 17 11 34 16 37 5 6 7 13 35 36 9 11 18 8 19 20 10 21 22 10 13 12 23 24 14 25 26 16 27 28 15 17 29 17 32 30 31 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 5 3 9 11 18 3 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 7.7619 9.2619 5.2619 2.866 6.2619 4.6783 4.6783 3.732 6.7619 3.732 6.7619 7.7619 2.866 2.866 2 8.2619 2 5.9519 5.2156 4.4272 4.4272 5.2156 6.1793 6.8695 6.8695 6.1793 8.3445 7.6542 2.866 7.6793 8.3695 1.4631 1.4631 8.0719 2.3291 3.403 9.5719 0.8455 -1.7526 -0.0205 1.9795 -0.0205 0.7842 -0.8252 0.4795 -0.8865 -0.5205 0.8455 -0.8865 0.9795 -1.0205 0.4795 -1.7526 -0.5205 -0.5574 1.0934 1.3511 -1.3922 -1.1345 -1.0986 -1.4971 1.4561 1.0576 -0.6745 -0.276 -1.6405 -1.9646 -2.3631 0.7895 -0.8305 1.3824 2.2895 2.2895 -2.2895 3 8 8 8 8 8 8 5 8 8 10 13 14 15 9 10 13 14 15 17 17 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 238 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0733000000000000000000000000000000160000000300000000000000058010000001E00100800000C28E1980630C0834002008002244240008200002002000888000864880A302280D19184600864900098C807B0A0800E80000040001200000000008000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminoisoindolin-2-yl)pentane-1,5-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-amino-1,3-dihydroisoindol-2-yl)pentane-1,5-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-amino-1,3-dihydroisoindol-2-yl)pentane-1,5-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-amino-1,3-dihydroisoindol-2-yl)pentane-1,5-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-azanyl-1,3-dihydroisoindol-2-yl)pentane-1,5-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-aminoisoindolin-2-yl)pentane-1,5-diol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H20N2O2/c14-13-5-1-3-10-7-15(8-12(10)13)11(9-17)4-2-6-16/h1,3,5,11,16-17H,2,4,6-9,14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GSZLEBUYCKSANF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2=C(CN1C(CCCO)CO)C(=CC=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2=C(CN1C(CCCO)CO)C(=CC=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.152477885 17 1 0 1 0 0 0 0 1 -1