1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone

C210H359F8N21O21 — CID 159519216

IUPAC1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)C)(C(F)(F)F)CC1.CC(C)C1(C#N)CCOCC1.CC(C)C1(C(F)(F)F)CCOCC1.CC(C)C1(C)CN(C(=O)OC(C)(C)C)C1.CC(C)C1(CNC(=O)OC(C)(C)C)CCOCC1.CC(C)C1(c2ccccc2)CCOCC1.CC(C)C1(c2ccccc2)COC1.CC(C)C1(c2cnn(C)c2)CCCO1.CC(C)C1CCCN1Cc1ccccc1.CC(C)C1CCCN1Cc1cccnc1.CC(C)C1CCCN1Cc1cnccn1.CC(C)C1CCCN1Cc1ncccn1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.CC(C)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1.CC(C)N1CCC(O)C1.CCCCC(=O)N1CCCC(C(C)C)C1.COC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C14H27NO3.C14H21N.C14H20O.C13H23F2NO2.C13H20N2.C13H25NO2.C13H25NO.2C12H19N3.C12H23NO2.C12H16O.C11H18F3NO.C11H18N2O.C11H21NO2.C10H19NO2.C9H15F3O.C9H15NO.C7H15NO/c1-11(2)14(6-8-17-9-7-14)10-15-12(16)18-13(3,4)5;1-12(2)14-9-6-10-15(14)11-13-7-4-3-5-8-13;1-12(2)14(8-10-15-11-9-14)13-6-4-3-5-7-13;1-9(2)10-6-13(14,15)8-16(7-10)11(17)18-12(3,4)5;1-11(2)13-6-4-8-15(13)10-12-5-3-7-14-9-12;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-4-5-8-13(15)14-9-6-7-12(10-14)11(2)3;1-10(2)11-5-3-8-15(11)9-12-13-6-4-7-14-12;1-10(2)12-4-3-7-15(12)9-11-8-13-5-6-14-11;1-9(2)12(6)7-13(8-12)10(14)15-11(3,4)5;1-10(2)12(8-13-9-12)11-6-4-3-5-7-11;1-8(2)10(11(12,13)14)4-6-15(7-5-10)9(3)16;1-9(2)11(5-4-6-14-11)10-7-12-13(3)8-10;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-8(2)9-5-4-6-11(7-9)10(12)13-3;1-7(2)8(9(10,11)12)3-5-13-6-4-8;1-8(2)9(7-10)3-5-11-6-4-9;1-6(2)8-4-3-7(9)5-8/h11H,6-10H2,1-5H3,(H,15,16);3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;9-10H,6-8H2,1-5H3;3,5,7,9,11,13H,4,6,8,10H2,1-2H3;10-11H,6-9H2,1-5H3;11-12H,4-10H2,1-3H3;4,6-7,10-11H,3,5,8-9H2,1-2H3;5-6,8,10,12H,3-4,7,9H2,1-2H3;9H,7-8H2,1-6H3;3-7,10H,8-9H2,1-2H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3
InChIKeyMBPCAWIVYKWKHZ-UHFFFAOYSA-N
MW3666.29 g/mol
LogP46.93
Rot. Bonds34

About 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone

1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 159519216) has the molecular formula C210H359F8N21O21 and a molecular weight of 3666.29 g/mol. Its IUPAC name is 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID159519216
Molecular FormulaC210H359F8N21O21
Molecular Weight3666.29 g/mol
Exact Mass3663.75
IUPAC Name1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)C)(C(F)(F)F)CC1.CC(C)C1(C#N)CCOCC1.CC(C)C1(C(F)(F)F)CCOCC1.CC(C)C1(C)CN(C(=O)OC(C)(C)C)C1.CC(C)C1(CNC(=O)OC(C)(C)C)CCOCC1.CC(C)C1(c2ccccc2)CCOCC1.CC(C)C1(c2ccccc2)COC1.CC(C)C1(c2cnn(C)c2)CCCO1.CC(C)C1CCCN1Cc1ccccc1.CC(C)C1CCCN1Cc1cccnc1.CC(C)C1CCCN1Cc1cnccn1.CC(C)C1CCCN1Cc1ncccn1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.CC(C)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1.CC(C)N1CCC(O)C1.CCCCC(=O)N1CCCC(C(C)C)C1.COC(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/C14H27NO3.C14H21N.C14H20O.C13H23F2NO2.C13H20N2.C13H25NO2.C13H25NO.2C12H19N3.C12H23NO2.C12H16O.C11H18F3NO.C11H18N2O.C11H21NO2.C10H19NO2.C9H15F3O.C9H15NO.C7H15NO/c1-11(2)14(6-8-17-9-7-14)10-15-12(16)18-13(3,4)5;1-12(2)14-9-6-10-15(14)11-13-7-4-3-5-8-13;1-12(2)14(8-10-15-11-9-14)13-6-4-3-5-7-13;1-9(2)10-6-13(14,15)8-16(7-10)11(17)18-12(3,4)5;1-11(2)13-6-4-8-15(13)10-12-5-3-7-14-9-12;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-4-5-8-13(15)14-9-6-7-12(10-14)11(2)3;1-10(2)11-5-3-8-15(11)9-12-13-6-4-7-14-12;1-10(2)12-4-3-7-15(12)9-11-8-13-5-6-14-11;1-9(2)12(6)7-13(8-12)10(14)15-11(3,4)5;1-10(2)12(8-13-9-12)11-6-4-3-5-7-11;1-8(2)10(11(12,13)14)4-6-15(7-5-10)9(3)16;1-9(2)11(5-4-6-14-11)10-7-12-13(3)8-10;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-8(2)9-5-4-6-11(7-9)10(12)13-3;1-7(2)8(9(10,11)12)3-5-13-6-4-8;1-8(2)9(7-10)3-5-11-6-4-9;1-6(2)8-4-3-7(9)5-8/h11H,6-10H2,1-5H3,(H,15,16);3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;9-10H,6-8H2,1-5H3;3,5,7,9,11,13H,4,6,8,10H2,1-2H3;10-11H,6-9H2,1-5H3;11-12H,4-10H2,1-3H3;4,6-7,10-11H,3,5,8-9H2,1-2H3;5-6,8,10,12H,3-4,7,9H2,1-2H3;9H,7-8H2,1-6H3;3-7,10H,8-9H2,1-2H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3
InChIKeyMBPCAWIVYKWKHZ-UHFFFAOYSA-N
XLogP46.93
TPSA424.52 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003666.29
LogP ≤ 546.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
CID 160829641
1-benzyl-2-propan-2-ylpyrrolidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-4-propan-2-yloxane;3-fluoro-1-propan-2-ylpyrrolidine;bis(4-methyl-4-propan-2-yloxane);3-methyl-3-propan-2-yloxetane;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;1-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-yloxan-4-yl)methyl]ethenamine;1-(4-methyl-4-propan-2-ylpiperidin-1-yl)ethanone;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-ylthiane 1,1-dioxide
CID 161028262
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;(1-fluoro-2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
CID 162071486
CID 162260433
CID 162260433
(4-tert-butyl-2-methyliminocyclohexylidene)methanamine;3-fluoro-4-(2-methylpropoxy)oxane;1-(1-methoxyethenyl)-N-propan-2-ylazetidin-3-amine;3-methoxy-N-propan-2-ylcyclobutan-1-amine;1-methoxy-3-propan-2-ylcyclobutane;4-methyl-4-(2-methylpropoxy)oxane;1-methyl-3-propan-2-ylcyclobutan-1-ol;2-methyl-N-propan-2-ylpyridin-4-amine;(3S)-3-(2-methylpropyl)oxolane;2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine;2-propan-2-yl-7,8-dihydro-6H-indolizin-5-one;3-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;7-propan-2-yl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine;2-propan-2-yl-6-oxaspiro[3.4]octane;N-propan-2-yloxetan-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyridin-4-amine;N-propan-2-ylpyrimidin-2-amine
CID 167667572

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 159519216) is 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(C)C)(C(F)(F)F)CC1.CC(C)C1(C#N)CCOCC1.CC(C)C1(C(F)(F)F)CCOCC1.CC(C)C1(C)CN(C(=O)OC(C)(C)C)C1.CC(C)C1(CNC(=O)OC(C)(C)C)CCOCC1.CC(C)C1(c2ccccc2)CCOCC1.CC(C)C1(c2ccccc2)COC1.CC(C)C1(c2cnn(C)c2)CCCO1.CC(C)C1CCCN1Cc1ccccc1.CC(C)C1CCCN1Cc1cccnc1.CC(C)C1CCCN1Cc1cnccn1.CC(C)C1CCCN1Cc1ncccn1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.CC(C)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1.CC(C)N1CCC(O)C1.CCCCC(=O)N1CCCC(C(C)C)C1.COC(=O)N1CCCC(C(C)C)C1.
What is the InChIKey of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is MBPCAWIVYKWKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3.C14H21N.C14H20O.C13H23F2NO2.C13H20N2.C13H25NO2.C13H25NO.2C12H19N3.C12H23NO2.C12H16O.C11H18F3NO.C11H18N2O.C11H21NO2.C10H19NO2.C9H15F3O.C9H15NO.C7H15NO/c1-11(2)14(6-8-17-9-7-14)10-15-12(16)18-13(3,4)5;1-12(2)14-9-6-10-15(14)11-13-7-4-3-5-8-13;1-12(2)14(8-10-15-11-9-14)13-6-4-3-5-7-13;1-9(2)10-6-13(14,15)8-16(7-10)11(17)18-12(3,4)5;1-11(2)13-6-4-8-15(13)10-12-5-3-7-14-9-12;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-4-5-8-13(15)14-9-6-7-12(10-14)11(2)3;1-10(2)11-5-3-8-15(11)9-12-13-6-4-7-14-12;1-10(2)12-4-3-7-15(12)9-11-8-13-5-6-14-11;1-9(2)12(6)7-13(8-12)10(14)15-11(3,4)5;1-10(2)12(8-13-9-12)11-6-4-3-5-7-11;1-8(2)10(11(12,13)14)4-6-15(7-5-10)9(3)16;1-9(2)11(5-4-6-14-11)10-7-12-13(3)8-10;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-8(2)9-5-4-6-11(7-9)10(12)13-3;1-7(2)8(9(10,11)12)3-5-13-6-4-8;1-8(2)9(7-10)3-5-11-6-4-9;1-6(2)8-4-3-7(9)5-8/h11H,6-10H2,1-5H3,(H,15,16);3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;9-10H,6-8H2,1-5H3;3,5,7,9,11,13H,4,6,8,10H2,1-2H3;10-11H,6-9H2,1-5H3;11-12H,4-10H2,1-3H3;4,6-7,10-11H,3,5,8-9H2,1-2H3;5-6,8,10,12H,3-4,7,9H2,1-2H3;9H,7-8H2,1-6H3;3-7,10H,8-9H2,1-2H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,6-7H2,1-5H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-6H2,1-2H3;6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 3666.29 g/mol, XLogP of 46.93, 34 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 159519216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).