5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine

C212H324Cl2F3N20O15S2+ — CID 158922182

IUPAC5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
SMILESCC(=O)N1CCc2cc(C(O)C(C)(C)C)ccc21.CC(=O)N[C@H](c1ccccc1)C(C)(C)C.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(O)c1c[nH]c2nccc[n+]12.CC(C)(C)C(O)c1ccccn1.CC(C)(C)C(O)c1cnc2ccccn12.CC(C)(C)C(O)c1nccs1.CC(C)(C)C1(C)CCC(=O)N1.CC(C)(C)Cc1cccs1.CC(C)(C)[C@H](O)c1ccccc1Cl.CCc1cc(C(O)C(C)(C)C)c[nH]1.CN(C)C(c1ccc(F)cc1F)C(C)(C)C.CN(C)C(c1ccccc1F)C(C)(C)C.CN(C)CC(Oc1ccc(Cl)cc1)C(C)(C)C.CN(C)[C@@H](c1ccccc1)C(C)(C)C.CN(C)[C@H](c1ccccc1)C(C)(C)C.CN1CCN(C(c2ccccc2)C(C)(C)C)CC1.Cn1ccnc1C(O)C(C)(C)C.O=C=O
InChIInChI=1S/C16H26N2.C15H21NO2.C14H22ClNO.C13H19F2N.C13H20FN.C13H19NO.2C13H21N.C12H16N2O.C11H15ClO.C11H15N3O.C11H19NO.C11H14O.C10H15NO.C9H16N2O.C9H17NO.C9H14S.C8H13NOS.CO2/c1-16(2,3)15(14-8-6-5-7-9-14)18-12-10-17(4)11-13-18;1-10(17)16-8-7-11-9-12(5-6-13(11)16)14(18)15(2,3)4;1-14(2,3)13(10-16(4)5)17-12-8-6-11(15)7-9-12;1-13(2,3)12(16(4)5)10-7-6-9(14)8-11(10)15;1-13(2,3)12(15(4)5)10-8-6-7-9-11(10)14;1-10(15)14-12(13(2,3)4)11-8-6-5-7-9-11;2*1-13(2,3)12(14(4)5)11-9-7-6-8-10-11;1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-11(2,3)9(15)8-7-13-10-12-5-4-6-14(8)10;1-5-9-6-8(7-12-9)10(13)11(2,3)4;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-6-4-5-7-11-8;1-9(2,3)7(12)8-10-5-6-11(8)4;1-8(2,3)9(4)6-5-7(11)10-9;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6(10)7-9-4-5-11-7;2-1-3/h5-9,15H,10-13H2,1-4H3;5-6,9,14,18H,7-8H2,1-4H3;6-9,13H,10H2,1-5H3;6-8,12H,1-5H3;6-9,12H,1-5H3;5-9,12H,1-4H3,(H,14,15);2*6-10,12H,1-5H3;4-8,11,15H,1-3H3;4-7,10,13H,1-3H3;4-7,9,15H,1-3H3;6-7,10,12-13H,5H2,1-4H3;4-8H,1-3H3;4-7,9,12H,1-3H3;5-7,12H,1-4H3;5-6H2,1-4H3,(H,10,11);4-6H,7H2,1-3H3;4-6,10H,1-3H3;/p+1/t;;;;;3*12-;;10-;;;;;;;;;/m.....110.1........./s1
InChIKeyXAVROPJCLHDUJI-IGYPEJDNSA-O
MW3585.08 g/mol
LogP49.03
Rot. Bonds27

About 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine

5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine (PubChem CID 158922182) has the molecular formula C212H324Cl2F3N20O15S2+ and a molecular weight of 3585.08 g/mol. Its IUPAC name is 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
PubChem CID158922182
Molecular FormulaC212H324Cl2F3N20O15S2+
Molecular Weight3585.08 g/mol
Exact Mass3581.40
IUPAC Name5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
SMILESCC(=O)N1CCc2cc(C(O)C(C)(C)C)ccc21.CC(=O)N[C@H](c1ccccc1)C(C)(C)C.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(O)c1c[nH]c2nccc[n+]12.CC(C)(C)C(O)c1ccccn1.CC(C)(C)C(O)c1cnc2ccccn12.CC(C)(C)C(O)c1nccs1.CC(C)(C)C1(C)CCC(=O)N1.CC(C)(C)Cc1cccs1.CC(C)(C)[C@H](O)c1ccccc1Cl.CCc1cc(C(O)C(C)(C)C)c[nH]1.CN(C)C(c1ccc(F)cc1F)C(C)(C)C.CN(C)C(c1ccccc1F)C(C)(C)C.CN(C)CC(Oc1ccc(Cl)cc1)C(C)(C)C.CN(C)[C@@H](c1ccccc1)C(C)(C)C.CN(C)[C@H](c1ccccc1)C(C)(C)C.CN1CCN(C(c2ccccc2)C(C)(C)C)CC1.Cn1ccnc1C(O)C(C)(C)C.O=C=O
InChIInChI=1S/C16H26N2.C15H21NO2.C14H22ClNO.C13H19F2N.C13H20FN.C13H19NO.2C13H21N.C12H16N2O.C11H15ClO.C11H15N3O.C11H19NO.C11H14O.C10H15NO.C9H16N2O.C9H17NO.C9H14S.C8H13NOS.CO2/c1-16(2,3)15(14-8-6-5-7-9-14)18-12-10-17(4)11-13-18;1-10(17)16-8-7-11-9-12(5-6-13(11)16)14(18)15(2,3)4;1-14(2,3)13(10-16(4)5)17-12-8-6-11(15)7-9-12;1-13(2,3)12(16(4)5)10-7-6-9(14)8-11(10)15;1-13(2,3)12(15(4)5)10-8-6-7-9-11(10)14;1-10(15)14-12(13(2,3)4)11-8-6-5-7-9-11;2*1-13(2,3)12(14(4)5)11-9-7-6-8-10-11;1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-11(2,3)9(15)8-7-13-10-12-5-4-6-14(8)10;1-5-9-6-8(7-12-9)10(13)11(2,3)4;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-6-4-5-7-11-8;1-9(2,3)7(12)8-10-5-6-11(8)4;1-8(2,3)9(4)6-5-7(11)10-9;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6(10)7-9-4-5-11-7;2-1-3/h5-9,15H,10-13H2,1-4H3;5-6,9,14,18H,7-8H2,1-4H3;6-9,13H,10H2,1-5H3;6-8,12H,1-5H3;6-9,12H,1-5H3;5-9,12H,1-4H3,(H,14,15);2*6-10,12H,1-5H3;4-8,11,15H,1-3H3;4-7,10,13H,1-3H3;4-7,9,15H,1-3H3;6-7,10,12-13H,5H2,1-4H3;4-8H,1-3H3;4-7,9,12H,1-3H3;5-7,12H,1-4H3;5-6H2,1-4H3,(H,10,11);4-6H,7H2,1-3H3;4-6,10H,1-3H3;/p+1/t;;;;;3*12-;;10-;;;;;;;;;/m.....110.1........./s1
InChIKeyXAVROPJCLHDUJI-IGYPEJDNSA-O
XLogP49.03
TPSA432.94 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003585.08
LogP ≤ 549.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
The IUPAC name of 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine (CID 158922182) is 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
The canonical SMILES for 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine is CC(=O)N1CCc2cc(C(O)C(C)(C)C)ccc21.CC(=O)N[C@H](c1ccccc1)C(C)(C)C.CC(C)(C)C(=O)c1ccccc1.CC(C)(C)C(O)c1c[nH]c2nccc[n+]12.CC(C)(C)C(O)c1ccccn1.CC(C)(C)C(O)c1cnc2ccccn12.CC(C)(C)C(O)c1nccs1.CC(C)(C)C1(C)CCC(=O)N1.CC(C)(C)Cc1cccs1.CC(C)(C)[C@H](O)c1ccccc1Cl.CCc1cc(C(O)C(C)(C)C)c[nH]1.CN(C)C(c1ccc(F)cc1F)C(C)(C)C.CN(C)C(c1ccccc1F)C(C)(C)C.CN(C)CC(Oc1ccc(Cl)cc1)C(C)(C)C.CN(C)[C@@H](c1ccccc1)C(C)(C)C.CN(C)[C@H](c1ccccc1)C(C)(C)C.CN1CCN(C(c2ccccc2)C(C)(C)C)CC1.Cn1ccnc1C(O)C(C)(C)C.O=C=O.
What is the InChIKey of 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
The InChIKey is XAVROPJCLHDUJI-IGYPEJDNSA-O. The full InChI is InChI=1S/C16H26N2.C15H21NO2.C14H22ClNO.C13H19F2N.C13H20FN.C13H19NO.2C13H21N.C12H16N2O.C11H15ClO.C11H15N3O.C11H19NO.C11H14O.C10H15NO.C9H16N2O.C9H17NO.C9H14S.C8H13NOS.CO2/c1-16(2,3)15(14-8-6-5-7-9-14)18-12-10-17(4)11-13-18;1-10(17)16-8-7-11-9-12(5-6-13(11)16)14(18)15(2,3)4;1-14(2,3)13(10-16(4)5)17-12-8-6-11(15)7-9-12;1-13(2,3)12(16(4)5)10-7-6-9(14)8-11(10)15;1-13(2,3)12(15(4)5)10-8-6-7-9-11(10)14;1-10(15)14-12(13(2,3)4)11-8-6-5-7-9-11;2*1-13(2,3)12(14(4)5)11-9-7-6-8-10-11;1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-11(2,3)9(15)8-7-13-10-12-5-4-6-14(8)10;1-5-9-6-8(7-12-9)10(13)11(2,3)4;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)9(12)8-6-4-5-7-11-8;1-9(2,3)7(12)8-10-5-6-11(8)4;1-8(2,3)9(4)6-5-7(11)10-9;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)6(10)7-9-4-5-11-7;2-1-3/h5-9,15H,10-13H2,1-4H3;5-6,9,14,18H,7-8H2,1-4H3;6-9,13H,10H2,1-5H3;6-8,12H,1-5H3;6-9,12H,1-5H3;5-9,12H,1-4H3,(H,14,15);2*6-10,12H,1-5H3;4-8,11,15H,1-3H3;4-7,10,13H,1-3H3;4-7,9,15H,1-3H3;6-7,10,12-13H,5H2,1-4H3;4-8H,1-3H3;4-7,9,12H,1-3H3;5-7,12H,1-4H3;5-6H2,1-4H3,(H,10,11);4-6H,7H2,1-3H3;4-6,10H,1-3H3;/p+1/t;;;;;3*12-;;10-;;;;;;;;;/m.....110.1........./s1.
What are the key properties of 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine?
5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine has a molecular weight of 3585.08 g/mol, XLogP of 49.03, 27 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 158922182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).