2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane

C232H393F9N12O5S2 — CID 158794733

IUPAC2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1.CC(C)(C)NC1CCC1.CC(C)(C)OC(C)(C)C.CC(C)(C)SC(C)(C)C.CC(C)(C)c1cc(C#N)ccc1F.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1CO.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2ccncc21.CC(C)OC(C)(C)C.CC1CCCN1C(C)(C)C.CCC(C)SC(C)(C)C.CCCN(C)C(C)(C)C.CN(c1ccccn1)C(C)(C)C.COc1ccc(C)cc1C(C)(C)C.COc1cccc(C(C)(C)C)c1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H18O.C11H13F3.C11H12FN.C11H15FO.C11H15F.2C11H14N2.C11H16O.C11H16.C10H12F2.C10H13F.C10H16N2.C10H19N.C10H20.2C9H19N.C9H18.C8H17N.C8H19N.C8H18O.2C8H18S.C8H18.C7H16O/c1-9-6-7-11(13-5)10(8-9)12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-6-8(7-13)4-5-10(9)12;1-11(2,3)8-6-5-7-9(13-4)10(8)12;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)12(4)9-7-5-6-8-11-9;1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-8;1-8(2,3)9-7-5-4-6-7;1-6-7-9(5)8(2,3)4;2*1-7(2,3)9-8(4,5)6;1-6-7(2)9-8(3,4)5;1-7(2,3)8(4,5)6;1-6(2)8-7(3,4)5/h6-8H,1-5H3;4-7H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;2*4-8H,1-3H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;6-7H2,1-5H3;2*1-6H3;7H,6H2,1-5H3;1-6H3;6H,1-5H3
InChIKeyISSMWVUTOFXLPA-UHFFFAOYSA-N
MW3665.89 g/mol
LogP69.14
Rot. Bonds10

About 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane

2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane (PubChem CID 158794733) has the molecular formula C232H393F9N12O5S2 and a molecular weight of 3665.89 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane
PubChem CID158794733
Molecular FormulaC232H393F9N12O5S2
Molecular Weight3665.89 g/mol
Exact Mass3663.02
IUPAC Name2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1.CC(C)(C)NC1CCC1.CC(C)(C)OC(C)(C)C.CC(C)(C)SC(C)(C)C.CC(C)(C)c1cc(C#N)ccc1F.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1CO.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2ccncc21.CC(C)OC(C)(C)C.CC1CCCN1C(C)(C)C.CCC(C)SC(C)(C)C.CCCN(C)C(C)(C)C.CN(c1ccccn1)C(C)(C)C.COc1ccc(C)cc1C(C)(C)C.COc1cccc(C(C)(C)C)c1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C12H18O.C11H13F3.C11H12FN.C11H15FO.C11H15F.2C11H14N2.C11H16O.C11H16.C10H12F2.C10H13F.C10H16N2.C10H19N.C10H20.2C9H19N.C9H18.C8H17N.C8H19N.C8H18O.2C8H18S.C8H18.C7H16O/c1-9-6-7-11(13-5)10(8-9)12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-6-8(7-13)4-5-10(9)12;1-11(2,3)8-6-5-7-9(13-4)10(8)12;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)12(4)9-7-5-6-8-11-9;1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-8;1-8(2,3)9-7-5-4-6-7;1-6-7-9(5)8(2,3)4;2*1-7(2,3)9-8(4,5)6;1-6-7(2)9-8(3,4)5;1-7(2,3)8(4,5)6;1-6(2)8-7(3,4)5/h6-8H,1-5H3;4-7H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;2*4-8H,1-3H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;6-7H2,1-5H3;2*1-6H3;7H,6H2,1-5H3;1-6H3;6H,1-5H3
InChIKeyISSMWVUTOFXLPA-UHFFFAOYSA-N
XLogP69.14
TPSA157.70 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003665.89
LogP ≤ 569.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane with MolForge

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Related Compounds

12-(3-Cyanophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-cyanophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2,4-difluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[2-fluoro-5-(hydroxymethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(3-fluoro-4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-methylsulfanylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-(trifluoromethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157251025
2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-(3-tert-butylphenyl)pyrazole;1-tert-butylpiperidine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;(2-methylpropan-2-yl)oxybenzene;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane
CID 161947379
N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butylindole;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanyl-2-methylpropane;4-tert-butylthiomorpholine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane
CID 159231235
2-tert-butylbenzonitrile;(2R)-N-tert-butylbutan-2-amine;1-tert-butyl-2-chlorobenzene;N-tert-butylcyclobutanamine;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine;2-methyl-2-propan-2-yloxypropane
CID 160390178
(2R)-N-tert-butylbutan-2-amine;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanyl-2-methylpropane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane
CID 160555143

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane?
The IUPAC name of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane (CID 158794733) is 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1.CC(C)(C)NC1CCC1.CC(C)(C)OC(C)(C)C.CC(C)(C)SC(C)(C)C.CC(C)(C)c1cc(C#N)ccc1F.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1ccccc1CO.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2ccncc21.CC(C)OC(C)(C)C.CC1CCCN1C(C)(C)C.CCC(C)SC(C)(C)C.CCCN(C)C(C)(C)C.CN(c1ccccn1)C(C)(C)C.COc1ccc(C)cc1C(C)(C)C.COc1cccc(C(C)(C)C)c1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane?
The InChIKey is ISSMWVUTOFXLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C11H13F3.C11H12FN.C11H15FO.C11H15F.2C11H14N2.C11H16O.C11H16.C10H12F2.C10H13F.C10H16N2.C10H19N.C10H20.2C9H19N.C9H18.C8H17N.C8H19N.C8H18O.2C8H18S.C8H18.C7H16O/c1-9-6-7-11(13-5)10(8-9)12(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-11(2,3)9-6-8(7-13)4-5-10(9)12;1-11(2,3)8-6-5-7-9(13-4)10(8)12;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)12(4)9-7-5-6-8-11-9;1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-8;1-8(2,3)9-7-5-4-6-7;1-6-7-9(5)8(2,3)4;2*1-7(2,3)9-8(4,5)6;1-6-7(2)9-8(3,4)5;1-7(2,3)8(4,5)6;1-6(2)8-7(3,4)5/h6-8H,1-5H3;4-7H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;2*4-8H,1-3H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;6-7H2,1-5H3;2*1-6H3;7H,6H2,1-5H3;1-6H3;6H,1-5H3.
What are the key properties of 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane?
2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane has a molecular weight of 3665.89 g/mol, XLogP of 69.14, 10 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[2.2.1]heptane;N-tert-butylcyclobutanamine;tert-butylcyclohexane;tert-butylcyclopentane;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-4-fluorobenzonitrile;1-tert-butyl-2-fluoro-3-methoxybenzene;4-tert-butyl-1-fluoro-2-methylbenzene;2-tert-butyl-1-methoxy-4-methylbenzene;1-tert-butyl-3-methylbenzene;N-tert-butyl-N-methylpyridin-2-amine;1-tert-butyl-2-methylpyrrolidine;(2-tert-butylphenyl)methanol;1-tert-butylpiperidine;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;2-tert-butylsulfanylbutane;2-tert-butylsulfanyl-2-methylpropane;1-tert-butyl-3-(trifluoromethyl)benzene;N,2-dimethyl-N-propylpropan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-propan-2-yloxypropane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 158794733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).