25047757 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 16 16 9 9 9 9 9 9 8 8 8 8 7 7 7 7 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 15 1 16 -1 1 1 1 1 2 2 2 2 3 4 5 6 7 8 13 13 13 14 14 14 15 15 15 17 17 17 18 18 18 19 19 19 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 26 26 27 28 28 28 9 10 16 29 11 12 16 30 29 29 29 30 30 30 17 18 19 20 25 26 25 27 28 21 22 31 23 24 32 20 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 27 50 51 52 53 54 2 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 3.4641 1.732 5.1962 3.8301 4.8301 0 0.366 1.366 2.9641 3.9641 1.232 2.232 2.5049 3.3709 3.8709 2.5981 1.6388 3.3709 2.5049 3.3709 1.6388 0.7728 3.3709 4.2369 4.1799 2.5619 2.8709 4.4587 4.3301 0.866 2.1758 2.834 2.2928 1.8943 3.583 3.9815 1.0188 1.6388 2.2588 1.0828 0.2359 0.4628 2.7509 3.3709 3.9909 4.5469 4.7739 3.9269 4.7696 1.9722 2.5065 4.9603 4.8231 3.9571 0.866 0.866 1.866 2.232 0.5 1.866 0.5 2.232 1.732 0 0 1.732 6.352 8.852 10.3909 0.366 5.852 5.852 7.352 7.852 4.852 6.352 4.852 6.352 9.4398 9.4398 10.3909 11.1999 1.366 1.366 5.542 5.542 7.9347 7.2444 7.2694 7.9597 4.852 4.232 4.852 6.889 6.662 5.8151 4.852 4.232 4.852 5.8151 6.662 6.889 9.2482 9.2482 10.8925 10.8355 11.7015 11.5643 8 8 8 8 8 14 14 15 15 26 25 26 25 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 545 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E073B9C0600000000000000000000000000160000000000000000000000000018000001D04004000000828C102142F90170C1002A0001027647000802D1112A00940001830008048000008001000000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-isopropyl-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]propan-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-N-propan-2-yl-2-propanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;<I>N</I>-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-<I>N</I>-propan-2-ylpropan-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-N-propan-2-ylpropan-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-N-propan-2-yl-propan-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 diisopropyl-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine;ditriflylazanide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H24N3.C2F6NO4S2/c1-11(2)15(12(3)4)9-8-14-7-6-13(5)10-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7,10-12H,8-9H2,1-5H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WMJXTBOWASPLDU-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 490.11431658 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H24F6N4O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 490.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)N(CCN1C=C[N+](=C1)C)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)N(CCN1C=C[N+](=C1)C)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 98.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 490.11431658 30 0 0 0 0 0 0 0 2 -1