68510 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 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 1 2 2 2 2 3 3 3 3 4 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 4 5 4 6 7 8 5 9 10 11 12 13 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 14 33 14 34 35 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 4.5981 6.3301 2.866 5.4641 3.732 7.1962 6.8301 5.8301 2 2.366 3.366 5.4641 3.732 4.5981 6.8862 7.7331 7.5062 7.3671 7.1401 6.2932 5.2932 5.5201 6.3671 1.69 1.4631 2.31 2.903 2.056 1.8291 2.8291 3.676 3.903 6.001 3.1951 4.5981 -0.567 -0.567 -0.567 -0.067 -0.067 -1.067 0.299 -1.433 -1.067 0.299 -1.433 0.933 0.933 1.433 -1.6039 -1.377 -0.5301 -0.011 0.836 0.609 -1.123 -1.97 -1.743 -0.5301 -1.377 -1.6039 0.609 0.836 -0.011 -1.743 -1.97 -1.123 1.243 1.243 2.053 8 8 8 8 8 8 1 1 4 5 12 13 4 5 12 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 162 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07200000000000000000000000000000000000000002C0000000000000000018000001C00000000000E08811600328092081000A001246244008280202102200898203064980820E2C09191842008608000C8C8071080C00D00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-ditert-butylpyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-ditert-butylpyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-di<I>tert</I>-butylpyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-ditert-butylpyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-ditert-butylpyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-ditert-butylpyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UWKQJZCTQGMHKD-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.167399674 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H21N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)(C)C1=NC(=CC=C1)C(C)(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)(C)C1=NC(=CC=C1)C(C)(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.167399674 14 0 0 0 0 0 0 0 1 -1