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]acetamide;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

C152H245N21O10S — CID 159442824

IUPAC2-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]acetamide;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
SMILESCC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CC(C)(C)c1cccc(CN2CCN(CC(N)=O)CC2)c1.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.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C17H27N3O.C15H23NO.C15H25NO.C14H21NO2S.C14H21NO.C12H21N3O.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;1-17(2,3)15-6-4-5-14(11-15)12-19-7-9-20(10-8-19)13-16(18)21;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;1-8(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);4-6,11H,7-10,12-13H2,1-3H3,(H2,18,21);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);5-6H,1-4H3
InChIKeyLSJRCECGAYJEJZ-UHFFFAOYSA-N
MW2558.84 g/mol
LogP23.59
Rot. Bonds30

About 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]acetamide;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

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]acetamide;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 (PubChem CID 159442824) has the molecular formula C152H245N21O10S and a molecular weight of 2558.84 g/mol. Its IUPAC name is 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]acetamide;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.

Molecular Properties

Compound Name2-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]acetamide;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
PubChem CID159442824
Molecular FormulaC152H245N21O10S
Molecular Weight2558.84 g/mol
Exact Mass2556.90
IUPAC Name2-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]acetamide;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
SMILESCC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CC(C)(C)c1cccc(CN2CCN(CC(N)=O)CC2)c1.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.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C17H27N3O.C15H23NO.C15H25NO.C14H21NO2S.C14H21NO.C12H21N3O.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;1-17(2,3)15-6-4-5-14(11-15)12-19-7-9-20(10-8-19)13-16(18)21;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;1-8(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);4-6,11H,7-10,12-13H2,1-3H3,(H2,18,21);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);5-6H,1-4H3
InChIKeyLSJRCECGAYJEJZ-UHFFFAOYSA-N
XLogP23.59
TPSA298.86 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002558.84
LogP ≤ 523.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

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;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]acetamide;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 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;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-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
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;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(3-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;ethyl 2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]acetate
CID 159058450
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

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;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]acetamide;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?
The IUPAC name of 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]acetamide;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 (CID 159442824) is 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]acetamide;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.
What is the SMILES notation for 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]acetamide;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?
The canonical SMILES for 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]acetamide;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 is CC(C)(C)c1cc(NC2CCOCC2)n[nH]1.CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)(C)c1ccc(OC2CCNC2)cc1.CC(C)(C)c1cccc(CN2CCN(CC(N)=O)CC2)c1.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.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;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]acetamide;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?
The InChIKey is LSJRCECGAYJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C17H27N3O.C15H23NO.C15H25NO.C14H21NO2S.C14H21NO.C12H21N3O.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;1-17(2,3)15-6-4-5-14(11-15)12-19-7-9-20(10-8-19)13-16(18)21;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;1-8(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);4-6,11H,7-10,12-13H2,1-3H3,(H2,18,21);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);5-6H,1-4H3.
What are the key properties of 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]acetamide;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?
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]acetamide;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 has a molecular weight of 2558.84 g/mol, XLogP of 23.59, 30 rotatable bonds, 6 hydrogen bond donors, and 26 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;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]acetamide;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 is sourced from PubChem (CID 159442824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).