25382 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 7 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 2 2 2 2 3 3 4 4 5 5 6 6 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 15 16 16 17 17 18 19 20 20 21 21 21 22 22 22 20 21 22 3 4 8 9 5 10 6 11 7 13 7 14 12 23 24 25 26 27 28 16 29 17 30 15 31 18 32 19 33 20 34 35 18 36 19 37 38 39 40 41 42 43 44 45 46 47 1 1 1 1 1 1 1 1 2 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 2 1 2 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 2.934 4.666 3.8 5.5321 3.8 5.5321 4.666 5.166 4.166 2.9061 6.426 4.666 2.9061 6.426 3.8 2 7.3321 2 7.3321 3.8 2.934 2.068 5.703 5.476 4.6291 4.703 3.856 3.6291 2.9132 6.4188 5.203 2.9132 6.4188 3.588 3.1894 1.4643 7.8678 1.4643 7.8678 4.0121 4.4106 2.314 2.934 3.554 2.378 1.531 1.758 -2.433 2.567 2.067 2.067 1.067 1.067 0.567 3.433 3.433 2.6016 2.6016 -0.433 0.5323 0.5323 -0.933 2.0878 2.0878 1.0462 1.0462 -1.933 -3.433 -1.933 3.123 3.97 3.743 3.743 3.97 3.123 3.2216 3.2216 -0.743 -0.0876 -0.0876 -0.3504 -1.0407 2.3999 2.3999 0.7341 0.7341 -2.5156 -1.8254 -3.433 -4.053 -3.433 -1.3961 -1.623 -2.47 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 10 11 13 14 16 17 5 10 6 11 13 14 16 17 18 19 18 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 378 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A00000000000000000000000000000000000000003060C0000000000000C14000001C00000000000E00C118043200830000008002204200000200002000000888000800880820228011108420002080000888070080C00F80000000001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(10,10-dimethyl-9-anthrylidene)-N,N-dimethyl-propan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(10,10-dimethyl-9-anthracenylidene)-N,N-dimethyl-1-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(10,10-dimethylanthracen-9-ylidene)-<I>N</I>,<I>N</I>-dimethylpropan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethyl-propan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(10,10-dimethyl-9-anthrylidene)propyl-dimethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GWWLWDURRGNSRS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.198699802 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H25N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.198699802 22 0 0 0 0 0 0 0 1 -1