1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane

C293H487N23O21 — CID 159058269

IUPAC1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC.CC(C)(C)/C=C/c1cccc(OCCNC(C)(C)C)c1.CC(C)(C)CCCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)CCCCOc1ccc2oc(C(C)(C)C)cc2n1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)COCc1ccc(Oc2cccc(CC(C)(C)C)c2)cc1.CC(C)(C)COc1cccc(OCCNC(C)(C)C)c1.CC(C)(C)COc1ccccc1OCCCNC(C)(C)C.CC(C)(C)Cc1ccc(N2CC[C@@H](CC(C)(C)C)C2)cn1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cn1.CC(C)(C)Cc1ccc2cc(CCNC(C)(C)C)oc2c1.CC(C)(C)NCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)NCCOc1ccc2oc(C(C)(C)C)cc2n1.CC(C)(C)NCCOc1cccc(C(C)(C)C)c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)n1.C[C@@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1
InChIInChI=1S/C23H32O2.C19H30N2O.C19H32N2.C19H29NO2.C19H29NO.2C19H31NO.C18H31NO2.C18H29NO.C17H27N3O.C17H26N2O2.C17H29NO2.C16H32N2O2.C16H28N2O.C16H27NO.C15H26N2O.3C2H6/c1-22(2,3)15-19-8-7-9-21(14-19)25-20-12-10-18(11-13-20)16-24-17-23(4,5)6;1-18(2,3)11-7-8-12-22-15-9-10-17-20-16(19(4,5)6)14-21(17)13-15;1-18(2,3)11-15-9-10-21(14-15)17-8-7-16(20-13-17)12-19(4,5)6;1-18(2,3)11-7-8-12-21-17-10-9-15-14(20-17)13-16(22-15)19(4,5)6;1-18(2,3)13-14-7-8-15-12-16(21-17(15)11-14)9-10-20-19(4,5)6;2*1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4;1-17(2,3)14-21-16-11-8-7-10-15(16)20-13-9-12-19-18(4,5)6;1-17(2,3)11-10-15-8-7-9-16(14-15)20-13-12-19-18(4,5)6;1-16(2,3)14-12-20-11-13(7-8-15(20)19-14)21-10-9-18-17(4,5)6;1-16(2,3)14-11-12-13(21-14)7-8-15(19-12)20-10-9-18-17(4,5)6;1-16(2,3)13-20-15-9-7-8-14(12-15)19-11-10-18-17(4,5)6;1-15(2,3)12-20-10-8-14(19)18-9-7-13(11-18)17-16(4,5)6;1-15(2,3)11-13-7-8-14(12-17-13)19-10-9-18-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)18-11-10-17-16(4,5)6;1-14(2,3)12-8-7-9-13(17-12)18-11-10-16-15(4,5)6;3*1-2/h7-14H,15-17H2,1-6H3;9-10,13-14H,7-8,11-12H2,1-6H3;7-8,13,15H,9-12,14H2,1-6H3;9-10,13H,7-8,11-12H2,1-6H3;7-8,11-12,20H,9-10,13H2,1-6H3;2*8-13,15,20H,14H2,1-7H3;7-8,10-11,19H,9,12-14H2,1-6H3;7-11,14,19H,12-13H2,1-6H3;7-8,11-12,18H,9-10H2,1-6H3;7-8,11,18H,9-10H2,1-6H3;7-9,12,18H,10-11,13H2,1-6H3;13,17H,7-12H2,1-6H3;7-8,12,18H,9-11H2,1-6H3;7-9,12,17H,10-11H2,1-6H3;7-9,16H,10-11H2,1-6H3;3*1-2H3/b;;;;;2*12-11+;;11-10+;;;;;;;;;;/t;;15-;;;2*15-;;;;;;13-;;;;;;/m..0..10.....1....../s1
InChIKeyJYDDYVYJWHDZDT-GIGUDEITSA-N
MW4668.26 g/mol
LogP73.06
Rot. Bonds77

About 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane

1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane (PubChem CID 159058269) has the molecular formula C293H487N23O21 and a molecular weight of 4668.26 g/mol. Its IUPAC name is 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane.

Molecular Properties

Compound Name1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane
PubChem CID159058269
Molecular FormulaC293H487N23O21
Molecular Weight4668.26 g/mol
Exact Mass4664.77
IUPAC Name1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC.CC(C)(C)/C=C/c1cccc(OCCNC(C)(C)C)c1.CC(C)(C)CCCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)CCCCOc1ccc2oc(C(C)(C)C)cc2n1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)COCc1ccc(Oc2cccc(CC(C)(C)C)c2)cc1.CC(C)(C)COc1cccc(OCCNC(C)(C)C)c1.CC(C)(C)COc1ccccc1OCCCNC(C)(C)C.CC(C)(C)Cc1ccc(N2CC[C@@H](CC(C)(C)C)C2)cn1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cn1.CC(C)(C)Cc1ccc2cc(CCNC(C)(C)C)oc2c1.CC(C)(C)NCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)NCCOc1ccc2oc(C(C)(C)C)cc2n1.CC(C)(C)NCCOc1cccc(C(C)(C)C)c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)n1.C[C@@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1
InChIInChI=1S/C23H32O2.C19H30N2O.C19H32N2.C19H29NO2.C19H29NO.2C19H31NO.C18H31NO2.C18H29NO.C17H27N3O.C17H26N2O2.C17H29NO2.C16H32N2O2.C16H28N2O.C16H27NO.C15H26N2O.3C2H6/c1-22(2,3)15-19-8-7-9-21(14-19)25-20-12-10-18(11-13-20)16-24-17-23(4,5)6;1-18(2,3)11-7-8-12-22-15-9-10-17-20-16(19(4,5)6)14-21(17)13-15;1-18(2,3)11-15-9-10-21(14-15)17-8-7-16(20-13-17)12-19(4,5)6;1-18(2,3)11-7-8-12-21-17-10-9-15-14(20-17)13-16(22-15)19(4,5)6;1-18(2,3)13-14-7-8-15-12-16(21-17(15)11-14)9-10-20-19(4,5)6;2*1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4;1-17(2,3)14-21-16-11-8-7-10-15(16)20-13-9-12-19-18(4,5)6;1-17(2,3)11-10-15-8-7-9-16(14-15)20-13-12-19-18(4,5)6;1-16(2,3)14-12-20-11-13(7-8-15(20)19-14)21-10-9-18-17(4,5)6;1-16(2,3)14-11-12-13(21-14)7-8-15(19-12)20-10-9-18-17(4,5)6;1-16(2,3)13-20-15-9-7-8-14(12-15)19-11-10-18-17(4,5)6;1-15(2,3)12-20-10-8-14(19)18-9-7-13(11-18)17-16(4,5)6;1-15(2,3)11-13-7-8-14(12-17-13)19-10-9-18-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)18-11-10-17-16(4,5)6;1-14(2,3)12-8-7-9-13(17-12)18-11-10-16-15(4,5)6;3*1-2/h7-14H,15-17H2,1-6H3;9-10,13-14H,7-8,11-12H2,1-6H3;7-8,13,15H,9-12,14H2,1-6H3;9-10,13H,7-8,11-12H2,1-6H3;7-8,11-12,20H,9-10,13H2,1-6H3;2*8-13,15,20H,14H2,1-7H3;7-8,10-11,19H,9,12-14H2,1-6H3;7-11,14,19H,12-13H2,1-6H3;7-8,11-12,18H,9-10H2,1-6H3;7-8,11,18H,9-10H2,1-6H3;7-9,12,18H,10-11,13H2,1-6H3;13,17H,7-12H2,1-6H3;7-8,12,18H,9-11H2,1-6H3;7-9,12,17H,10-11H2,1-6H3;7-9,16H,10-11H2,1-6H3;3*1-2H3/b;;;;;2*12-11+;;11-10+;;;;;;;;;;/t;;15-;;;2*15-;;;;;;13-;;;;;;/m..0..10.....1....../s1
InChIKeyJYDDYVYJWHDZDT-GIGUDEITSA-N
XLogP73.06
TPSA463.29 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds77
Heavy Atoms337
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004668.26
LogP ≤ 573.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane with MolForge

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What is the IUPAC name of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
The IUPAC name of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane (CID 159058269) is 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane.
What is the SMILES notation for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
The canonical SMILES for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane is CC.CC.CC.CC(C)(C)/C=C/c1cccc(OCCNC(C)(C)C)c1.CC(C)(C)CCCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)CCCCOc1ccc2oc(C(C)(C)C)cc2n1.CC(C)(C)COCCC(=O)N1CC[C@@H](NC(C)(C)C)C1.CC(C)(C)COCc1ccc(Oc2cccc(CC(C)(C)C)c2)cc1.CC(C)(C)COc1cccc(OCCNC(C)(C)C)c1.CC(C)(C)COc1ccccc1OCCCNC(C)(C)C.CC(C)(C)Cc1ccc(N2CC[C@@H](CC(C)(C)C)C2)cn1.CC(C)(C)Cc1ccc(OCCNC(C)(C)C)cn1.CC(C)(C)Cc1ccc2cc(CCNC(C)(C)C)oc2c1.CC(C)(C)NCCOc1ccc2nc(C(C)(C)C)cn2c1.CC(C)(C)NCCOc1ccc2oc(C(C)(C)C)cc2n1.CC(C)(C)NCCOc1cccc(C(C)(C)C)c1.CC(C)(C)NCCOc1cccc(C(C)(C)C)n1.C[C@@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(/C=C/C(C)(C)C)c1.
What is the InChIKey of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
The InChIKey is JYDDYVYJWHDZDT-GIGUDEITSA-N. The full InChI is InChI=1S/C23H32O2.C19H30N2O.C19H32N2.C19H29NO2.C19H29NO.2C19H31NO.C18H31NO2.C18H29NO.C17H27N3O.C17H26N2O2.C17H29NO2.C16H32N2O2.C16H28N2O.C16H27NO.C15H26N2O.3C2H6/c1-22(2,3)15-19-8-7-9-21(14-19)25-20-12-10-18(11-13-20)16-24-17-23(4,5)6;1-18(2,3)11-7-8-12-22-15-9-10-17-20-16(19(4,5)6)14-21(17)13-15;1-18(2,3)11-15-9-10-21(14-15)17-8-7-16(20-13-17)12-19(4,5)6;1-18(2,3)11-7-8-12-21-17-10-9-15-14(20-17)13-16(22-15)19(4,5)6;1-18(2,3)13-14-7-8-15-12-16(21-17(15)11-14)9-10-20-19(4,5)6;2*1-15(14-20-19(5,6)7)21-17-10-8-9-16(13-17)11-12-18(2,3)4;1-17(2,3)14-21-16-11-8-7-10-15(16)20-13-9-12-19-18(4,5)6;1-17(2,3)11-10-15-8-7-9-16(14-15)20-13-12-19-18(4,5)6;1-16(2,3)14-12-20-11-13(7-8-15(20)19-14)21-10-9-18-17(4,5)6;1-16(2,3)14-11-12-13(21-14)7-8-15(19-12)20-10-9-18-17(4,5)6;1-16(2,3)13-20-15-9-7-8-14(12-15)19-11-10-18-17(4,5)6;1-15(2,3)12-20-10-8-14(19)18-9-7-13(11-18)17-16(4,5)6;1-15(2,3)11-13-7-8-14(12-17-13)19-10-9-18-16(4,5)6;1-15(2,3)13-8-7-9-14(12-13)18-11-10-17-16(4,5)6;1-14(2,3)12-8-7-9-13(17-12)18-11-10-16-15(4,5)6;3*1-2/h7-14H,15-17H2,1-6H3;9-10,13-14H,7-8,11-12H2,1-6H3;7-8,13,15H,9-12,14H2,1-6H3;9-10,13H,7-8,11-12H2,1-6H3;7-8,11-12,20H,9-10,13H2,1-6H3;2*8-13,15,20H,14H2,1-7H3;7-8,10-11,19H,9,12-14H2,1-6H3;7-11,14,19H,12-13H2,1-6H3;7-8,11-12,18H,9-10H2,1-6H3;7-8,11,18H,9-10H2,1-6H3;7-9,12,18H,10-11,13H2,1-6H3;13,17H,7-12H2,1-6H3;7-8,12,18H,9-11H2,1-6H3;7-9,12,17H,10-11H2,1-6H3;7-9,16H,10-11H2,1-6H3;3*1-2H3/b;;;;;2*12-11+;;11-10+;;;;;;;;;;/t;;15-;;;2*15-;;;;;;13-;;;;;;/m..0..10.....1....../s1.
What are the key properties of 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane?
1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane has a molecular weight of 4668.26 g/mol, XLogP of 73.06, 77 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-5-(5,5-dimethylhexoxy)furo[3,2-b]pyridine;2-tert-butyl-6-(5,5-dimethylhexoxy)imidazo[1,2-a]pyridine;N-[2-(2-tert-butylfuro[3,2-b]pyridin-5-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)oxyethyl]-2-methylpropan-2-amine;N-[2-(3-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine;N-[2-[(6-tert-butyl-2-pyridinyl)oxy]ethyl]-2-methylpropan-2-amine;N-[2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]ethyl]-2-methylpropan-2-amine;N-[(2S)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[3-[(E)-3,3-dimethylbut-1-enyl]phenoxy]propyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropoxymethyl)-4-[3-(2,2-dimethylpropyl)phenoxy]benzene;N-[2-[3-(2,2-dimethylpropoxy)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[2-(2,2-dimethylpropoxy)phenoxy]propyl]-2-methylpropan-2-amine;N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2-methylpropan-2-amine;2-(2,2-dimethylpropyl)-5-[(3R)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]pyridine;N-[2-[[6-(2,2-dimethylpropyl)-3-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;ethane is sourced from PubChem (CID 159058269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).