1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine

C263H414F4N20O2S — CID 161110256

IUPAC1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
SMILESCC(C)Cc1ccccc1C(C)C.CC(C)c1ccc(CN(C)C)cc1C(C)(C)C.CC(C)c1ccc(CN(C)C)cc1C(C)C.CC(C)c1ccc(CN(C)C)cc1C1CC1.CC(C)c1cccc(C(C)O)c1C(C)C.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncnc(C(C)(C)C)c1C(C)(C)C.CC(C)c1ncsc1C(C)C.CCC1=NCC(CC)=C1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cc(CN(C)C)cc(C(C)C)c1C(C)C.Cc1cc(CN(C)C)nc(C(C)C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/2C16H27N.2C15H26N2.C15H23N.C15H25N.C14H17NO.C14H23N.C14H22O.C13H17F2N.3C13H20.C12H16F2N2.C12H17N.C12H19N.C11H17N.C11H19N.C10H18N2.C9H15NS/c1-11(2)15-9-14(10-17(6)7)8-13(5)16(15)12(3)4;1-12(2)14-9-8-13(11-17(6)7)10-15(14)16(3,4)5;1-10(2)12-11(14(3,4)5)13(15(6,7)8)17-9-16-12;1-10(2)14-12(5)8-13(9-17(6)7)16-15(14)11(3)4;1-11(2)14-8-5-12(10-16(3)4)9-15(14)13-6-7-13;1-11(2)14-8-7-13(10-16(5)6)9-15(14)12(3)4;1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-10(2)9-12-7-5-6-8-13(12)11(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h8-9,11-12H,10H2,1-7H3;8-10,12H,11H2,1-7H3;9-10H,1-8H3;8,10-11H,9H2,1-7H3;5,8-9,11,13H,6-7,10H2,1-4H3;7-9,11-12H,10H2,1-6H3;4-11H,1-3H3;7-11H,1-6H3;6-11,15H,1-5H3;3-6,10H,7-9H2,1-2H3;2*6-10H,1-5H3;5-8,10-11H,9H2,1-4H3;3-4,6,9H,5,7-8H2,1-2H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;8H,5-7H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3
InChIKeyUJPFEEDRLNJCOR-UHFFFAOYSA-N
MW3996.40 g/mol
LogP75.16
Rot. Bonds52

About 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine

1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine (PubChem CID 161110256) has the molecular formula C263H414F4N20O2S and a molecular weight of 3996.40 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
PubChem CID161110256
Molecular FormulaC263H414F4N20O2S
Molecular Weight3996.40 g/mol
Exact Mass3993.26
IUPAC Name1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
SMILESCC(C)Cc1ccccc1C(C)C.CC(C)c1ccc(CN(C)C)cc1C(C)(C)C.CC(C)c1ccc(CN(C)C)cc1C(C)C.CC(C)c1ccc(CN(C)C)cc1C1CC1.CC(C)c1cccc(C(C)O)c1C(C)C.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncnc(C(C)(C)C)c1C(C)(C)C.CC(C)c1ncsc1C(C)C.CCC1=NCC(CC)=C1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cc(CN(C)C)cc(C(C)C)c1C(C)C.Cc1cc(CN(C)C)nc(C(C)C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/2C16H27N.2C15H26N2.C15H23N.C15H25N.C14H17NO.C14H23N.C14H22O.C13H17F2N.3C13H20.C12H16F2N2.C12H17N.C12H19N.C11H17N.C11H19N.C10H18N2.C9H15NS/c1-11(2)15-9-14(10-17(6)7)8-13(5)16(15)12(3)4;1-12(2)14-9-8-13(11-17(6)7)10-15(14)16(3,4)5;1-10(2)12-11(14(3,4)5)13(15(6,7)8)17-9-16-12;1-10(2)14-12(5)8-13(9-17(6)7)16-15(14)11(3)4;1-11(2)14-8-5-12(10-16(3)4)9-15(14)13-6-7-13;1-11(2)14-8-7-13(10-16(5)6)9-15(14)12(3)4;1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-10(2)9-12-7-5-6-8-13(12)11(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h8-9,11-12H,10H2,1-7H3;8-10,12H,11H2,1-7H3;9-10H,1-8H3;8,10-11H,9H2,1-7H3;5,8-9,11,13H,6-7,10H2,1-4H3;7-9,11-12H,10H2,1-6H3;4-11H,1-3H3;7-11H,1-6H3;6-11,15H,1-5H3;3-6,10H,7-9H2,1-2H3;2*6-10H,1-5H3;5-8,10-11H,9H2,1-4H3;3-4,6,9H,5,7-8H2,1-2H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;8H,5-7H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3
InChIKeyUJPFEEDRLNJCOR-UHFFFAOYSA-N
XLogP75.16
TPSA215.13 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds52
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003996.40
LogP ≤ 575.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine with MolForge

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Related Compounds

CID 158072745
CID 158072745
1-tert-butyl-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-[3-(1-hydroxyethyl)-2-propan-2-ylphenyl]ethanol;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;4,5,6-tri(propan-2-yl)pyrimidine
CID 159244379
1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
CID 159588597
1-tert-butyl-2-propan-2-ylbenzene;2-but-3-yn-2-yl-4-methyl-1-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[2,3-di(propan-2-yl)phenyl]ethanol;1,5-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
CID 160869969
1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;bis(2,3,4-tri(propan-2-yl)pyridine)
CID 162154604

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
The IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine (CID 161110256) is 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine is CC(C)Cc1ccccc1C(C)C.CC(C)c1ccc(CN(C)C)cc1C(C)(C)C.CC(C)c1ccc(CN(C)C)cc1C(C)C.CC(C)c1ccc(CN(C)C)cc1C1CC1.CC(C)c1cccc(C(C)O)c1C(C)C.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncnc(C(C)(C)C)c1C(C)(C)C.CC(C)c1ncsc1C(C)C.CCC1=NCC(CC)=C1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cc(CN(C)C)cc(C(C)C)c1C(C)C.Cc1cc(CN(C)C)nc(C(C)C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
The InChIKey is UJPFEEDRLNJCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H27N.2C15H26N2.C15H23N.C15H25N.C14H17NO.C14H23N.C14H22O.C13H17F2N.3C13H20.C12H16F2N2.C12H17N.C12H19N.C11H17N.C11H19N.C10H18N2.C9H15NS/c1-11(2)15-9-14(10-17(6)7)8-13(5)16(15)12(3)4;1-12(2)14-9-8-13(11-17(6)7)10-15(14)16(3,4)5;1-10(2)12-11(14(3,4)5)13(15(6,7)8)17-9-16-12;1-10(2)14-12(5)8-13(9-17(6)7)16-15(14)11(3)4;1-11(2)14-8-5-12(10-16(3)4)9-15(14)13-6-7-13;1-11(2)14-8-7-13(10-16(5)6)9-15(14)12(3)4;1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-10(2)9-12-7-5-6-8-13(12)11(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h8-9,11-12H,10H2,1-7H3;8-10,12H,11H2,1-7H3;9-10H,1-8H3;8,10-11H,9H2,1-7H3;5,8-9,11,13H,6-7,10H2,1-4H3;7-9,11-12H,10H2,1-6H3;4-11H,1-3H3;7-11H,1-6H3;6-11,15H,1-5H3;3-6,10H,7-9H2,1-2H3;2*6-10H,1-5H3;5-8,10-11H,9H2,1-4H3;3-4,6,9H,5,7-8H2,1-2H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;8H,5-7H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3.
What are the key properties of 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine has a molecular weight of 3996.40 g/mol, XLogP of 75.16, 52 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylbenzene;1-(3-tert-butyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;1-(3-cyclopropyl-4-propan-2-ylphenyl)-N,N-dimethylmethanamine;4,5-ditert-butyl-6-propan-2-ylpyrimidine;3,5-diethyl-4-propan-2-yl-2H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;N,N-dimethyl-1-[3-methyl-4,5-di(propan-2-yl)phenyl]methanamine;N,N-dimethyl-1-[4-methyl-5,6-di(propan-2-yl)-2-pyridinyl]methanamine;1-[3,4-di(propan-2-yl)phenyl]-N,N-dimethylmethanamine;1-[2,3-di(propan-2-yl)phenyl]ethanol;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;1-(2-methylpropyl)-2-propan-2-ylbenzene;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine is sourced from PubChem (CID 161110256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).