15011385 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 8 7 7 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 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 9 9 9 10 10 10 11 12 12 13 14 14 15 15 16 17 17 17 18 18 18 11 12 8 13 30 14 17 18 5 7 8 6 11 9 19 20 10 13 15 12 21 22 14 23 24 16 25 26 27 28 29 16 31 32 33 34 35 36 37 38 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 8.1666 4.5783 2.9785 5.5246 6.3906 6.3745 4.5783 5.5246 7.2726 4.2677 7.2566 8.1746 3.9947 3.2892 6.3906 7.2566 2 3.6464 6.1565 5.7654 7.6699 6.8716 4.8815 4.2882 8.7847 8.3882 3.3747 2.6754 3.2686 4.3857 6.3906 7.7935 2.1279 1.3933 1.8721 4.1078 4.0604 3.1849 -0.1243 -1.9358 1.7809 -0.6311 -0.1311 0.9104 -0.3264 -1.6311 1.4381 0.6241 -0.6311 0.9173 -1.1311 0.8304 -2.1311 -1.6311 1.9871 2.5252 1.4908 0.7949 1.9141 1.911 0.7115 1.2438 0.8065 1.4994 -1.1311 0.743 0.2107 -2.5252 -2.7511 -1.9411 2.5938 2.115 1.3804 2.1111 2.9866 2.9392 8 8 8 8 8 8 8 8 8 8 2 2 4 4 4 5 7 8 11 15 8 13 5 7 8 11 13 15 16 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 282 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073200000000000000000000000000000016000000034400000000000005891F000001E00100000000C0CE19E063EC6F3C99400A0033467440082882031222008D9A03E6C980C26E2C4B19B863828E4D011C8E807B0D0F20E80400140001A00000080028000340000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>,<I>N</I>-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 dimethyl-[2-(3,7,8,9-tetrahydropyran[3,2-e]indol-1-yl)ethyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RMMYVKPVLLBYDW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.157563266 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H20N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)CCC1=CNC2=C1C3=C(C=C2)OCCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)CCC1=CNC2=C1C3=C(C=C2)OCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 28.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.157563266 18 0 0 0 0 0 0 0 1 -1