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

C153H246N20O10S — CID 157493374

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]-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(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.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C18H28N2O.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;1-15(21)13-19-8-10-20(11-9-19)14-16-6-5-7-17(12-16)18(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;1-8(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;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
InChIKeyBXNQANNKRDMPIL-UHFFFAOYSA-N
MW2557.85 g/mol
LogP24.70
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]-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;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 (PubChem CID 157493374) has the molecular formula C153H246N20O10S and a molecular weight of 2557.85 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]-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;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
PubChem CID157493374
Molecular FormulaC153H246N20O10S
Molecular Weight2557.85 g/mol
Exact Mass2555.91
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]-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(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.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C18H28N2O.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;1-15(21)13-19-8-10-20(11-9-19)14-16-6-5-7-17(12-16)18(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;1-8(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;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
InChIKeyBXNQANNKRDMPIL-UHFFFAOYSA-N
XLogP24.70
TPSA272.84 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002557.85
LogP ≤ 524.70
H-Bond Donors ≤ 55
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]-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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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]-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;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) 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]-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;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?
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]-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(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.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]-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 BXNQANNKRDMPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.C19H31N3O.C18H29N3O.C18H28N2O.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;1-15(21)13-19-8-10-20(11-9-19)14-16-6-5-7-17(12-16)18(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;1-8(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;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]-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;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 has a molecular weight of 2557.85 g/mol, XLogP of 24.70, 30 rotatable bonds, 5 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]-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 157493374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).