2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide

C197H314N24O13S — CID 159616485

IUPAC2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CN(C)C(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CNC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.C[C@@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.C[C@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C18H28N2O.2C16H25NO.C15H23NO.C15H25NO.C14H21NO2S.C14H21NO.C12H21N3O.C12H18N2O.C8H14N2/c1-20(2,3)18-8-5-7-17(15-18)16-23-13-11-22(12-14-23)10-6-9-19(24)21-4;1-19(2,3)17-8-6-7-16(13-17)14-21-9-11-22(12-10-21)15-18(23)20(4)5;1-18(2,3)16-7-5-6-15(12-16)13-20-8-10-21(11-9-20)14-17(22)19-4;1-15(21)13-19-8-10-20(11-9-19)14-16-6-5-7-17(12-16)18(2,3)4;2*1-12-10-15(8-9-18-12)17-14-7-5-6-13(11-14)16(2,3)4;1-15(2,3)12-5-7-13(8-6-12)17-14-9-10-16(4)11-14;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15;1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13;1-12(2,3)10-8-11(15-14-10)13-9-4-6-16-7-5-9;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9;1-8(2,3)7-9-5-6-10(7)4/h5,7-8,15H,6,9-14,16H2,1-4H3,(H,21,24);6-8,13H,9-12,14-15H2,1-5H3;5-7,12H,8-11,13-14H2,1-4H3,(H,19,22);5-7,12H,8-11,13-14H2,1-4H3;2*5-7,11-12,15,17H,8-10H2,1-4H3;5-8,14H,9-11H2,1-4H3;7-10H,6,11-12H2,1-5H3;4-7H,8-11H2,1-3H3;4-7,13,15H,8-10H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,13,14,15);5,8-9H,4,6-7H2,1-3H3;5-6H,1-4H3/t;;;;2*12-,15?;;;;;;;/m....10......./s1
InChIKeyMNIRQNRIRRHLAB-WBTONKPHSA-N
MW3258.90 g/mol
LogP34.59
Rot. Bonds36

About 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide

2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 159616485) has the molecular formula C197H314N24O13S and a molecular weight of 3258.90 g/mol. Its IUPAC name is 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID159616485
Molecular FormulaC197H314N24O13S
Molecular Weight3258.90 g/mol
Exact Mass3256.44
IUPAC Name2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CN(C)C(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CNC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.C[C@@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.C[C@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C18H28N2O.2C16H25NO.C15H23NO.C15H25NO.C14H21NO2S.C14H21NO.C12H21N3O.C12H18N2O.C8H14N2/c1-20(2,3)18-8-5-7-17(15-18)16-23-13-11-22(12-14-23)10-6-9-19(24)21-4;1-19(2,3)17-8-6-7-16(13-17)14-21-9-11-22(12-10-21)15-18(23)20(4)5;1-18(2,3)16-7-5-6-15(12-16)13-20-8-10-21(11-9-20)14-17(22)19-4;1-15(21)13-19-8-10-20(11-9-19)14-16-6-5-7-17(12-16)18(2,3)4;2*1-12-10-15(8-9-18-12)17-14-7-5-6-13(11-14)16(2,3)4;1-15(2,3)12-5-7-13(8-6-12)17-14-9-10-16(4)11-14;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15;1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13;1-12(2,3)10-8-11(15-14-10)13-9-4-6-16-7-5-9;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9;1-8(2,3)7-9-5-6-10(7)4/h5,7-8,15H,6,9-14,16H2,1-4H3,(H,21,24);6-8,13H,9-12,14-15H2,1-5H3;5-7,12H,8-11,13-14H2,1-4H3,(H,19,22);5-7,12H,8-11,13-14H2,1-4H3;2*5-7,11-12,15,17H,8-10H2,1-4H3;5-8,14H,9-11H2,1-4H3;7-10H,6,11-12H2,1-5H3;4-7H,8-11H2,1-3H3;4-7,13,15H,8-10H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,13,14,15);5,8-9H,4,6-7H2,1-3H3;5-6H,1-4H3/t;;;;2*12-,15?;;;;;;;/m....10......./s1
InChIKeyMNIRQNRIRRHLAB-WBTONKPHSA-N
XLogP34.59
TPSA350.37 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003258.90
LogP ≤ 534.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one
CID 157521056
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 159471554
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 161390710
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 161897997
4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 161974866
2-tert-butyl-1-methylimidazole;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;methane
CID 157365976
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 157493374
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 157837378
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one
CID 157852621
2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 158084058
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158307975
1-[(3-tert-butyl-5-methoxyphenyl)methyl]-4-methylpiperazine;2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(3-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;1-[1-(3-tert-butylphenyl)ethyl]-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;5-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]pentan-2-one;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 158621349

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide (CID 159616485) is 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide is CC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cc(CC2COC2)ncn1.CC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CN(C)C(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CNC(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CNC(=O)CN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.C[C@@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.C[C@H]1CC(Nc2cccc(C(C)(C)C)c2)CCO1.Cn1ccnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is MNIRQNRIRRHLAB-WBTONKPHSA-N. The full InChI is InChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C18H28N2O.2C16H25NO.C15H23NO.C15H25NO.C14H21NO2S.C14H21NO.C12H21N3O.C12H18N2O.C8H14N2/c1-20(2,3)18-8-5-7-17(15-18)16-23-13-11-22(12-14-23)10-6-9-19(24)21-4;1-19(2,3)17-8-6-7-16(13-17)14-21-9-11-22(12-10-21)15-18(23)20(4)5;1-18(2,3)16-7-5-6-15(12-16)13-20-8-10-21(11-9-20)14-17(22)19-4;1-15(21)13-19-8-10-20(11-9-19)14-16-6-5-7-17(12-16)18(2,3)4;2*1-12-10-15(8-9-18-12)17-14-7-5-6-13(11-14)16(2,3)4;1-15(2,3)12-5-7-13(8-6-12)17-14-9-10-16(4)11-14;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)12-4-6-13(7-5-12)15-8-10-18(16,17)11-9-15;1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13;1-12(2,3)10-8-11(15-14-10)13-9-4-6-16-7-5-9;1-12(2,3)11-5-10(13-8-14-11)4-9-6-15-7-9;1-8(2,3)7-9-5-6-10(7)4/h5,7-8,15H,6,9-14,16H2,1-4H3,(H,21,24);6-8,13H,9-12,14-15H2,1-5H3;5-7,12H,8-11,13-14H2,1-4H3,(H,19,22);5-7,12H,8-11,13-14H2,1-4H3;2*5-7,11-12,15,17H,8-10H2,1-4H3;5-8,14H,9-11H2,1-4H3;7-10H,6,11-12H2,1-5H3;4-7H,8-11H2,1-3H3;4-7,13,15H,8-10H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,13,14,15);5,8-9H,4,6-7H2,1-3H3;5-6H,1-4H3/t;;;;2*12-,15?;;;;;;;/m....10......./s1.
What are the key properties of 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide?
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 3258.90 g/mol, XLogP of 34.59, 36 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;4-tert-butyl-6-(oxetan-3-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;(2S)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;(2R)-N-(3-tert-butylphenyl)-2-methyloxan-4-amine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 159616485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).