1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one

C193H364F5N27O16 — CID 160907585

IUPAC1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESC.C.C.C.C.C.C.C.CC(C)(C)CC(=O)N1CCC(F)(F)CC1.CC(C)(C)CCn1cccn1.CC(C)(C)CN1CCCC1=O.CC(C)(C)CN1CCNC(=O)C1.CC(C)(C)Cn1ccc(=O)[nH]c1=O.CC(C)(C)OC(=O)N1CC(C(C)(C)C)C1.CC(C)(C)OC(=O)N1CC(F)(F)C1.CC(C)(C)OC(=O)N1CC(F)C1.CC(C)C(=O)N1CC(C(C)(C)C)C1.CC(C)C1CC(=O)N(C(C)C)C1.CC(C)C1CC(=O)N(C)C1.CC(C)c1nccn1CCC(C)(C)C.Cc1cc(CCC(C)(C)C)on1.Cc1ccnn1CCC(C)(C)C.Cc1cnn(CCC(C)(C)C)c1.Cc1cocc1CC(C)(C)C.Cc1n[nH]c(C)c1CCC(C)(C)C.Cc1nccn1CC(C)C.Cn1ccnc1CCC(C)(C)C
InChIInChI=1S/C12H22N2.C12H23NO2.C11H19F2NO.C11H20N2.C11H21NO.3C10H18N2.C10H19NO.C10H17NO.C10H16O.C9H14N2O2.C9H18N2O.C9H16N2.C9H17NO.C8H13F2NO2.C8H14FNO2.C8H14N2.C8H15NO.8CH4/c1-10(2)11-13-7-9-14(11)8-6-12(3,4)5;1-11(2,3)9-7-13(8-9)10(14)15-12(4,5)6;1-10(2,3)8-9(15)14-6-4-11(12,13)5-7-14;1-8-10(9(2)13-12-8)6-7-11(3,4)5;1-8(2)10(13)12-6-9(7-12)11(3,4)5;1-9-5-7-11-12(9)8-6-10(2,3)4;1-9-7-11-12(8-9)6-5-10(2,3)4;1-10(2,3)6-5-9-11-7-8-12(9)4;1-7(2)9-5-10(12)11(6-9)8(3)4;1-8-7-9(12-11-8)5-6-10(2,3)4;1-8-6-11-7-9(8)5-10(2,3)4;1-9(2,3)6-11-5-4-7(12)10-8(11)13;1-9(2,3)7-11-5-4-10-8(12)6-11;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)7-10-6-4-5-8(10)11;1-7(2,3)13-6(12)11-4-8(9,10)5-11;1-8(2,3)12-7(11)10-4-6(9)5-10;1-7(2)6-10-5-4-9-8(10)3;1-6(2)7-4-8(10)9(3)5-7;;;;;;;;/h7,9-10H,6,8H2,1-5H3;9H,7-8H2,1-6H3;4-8H2,1-3H3;6-7H2,1-5H3,(H,12,13);8-9H,6-7H2,1-5H3;5,7H,6,8H2,1-4H3;2*7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;7H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4-5H,6H2,1-3H3,(H,10,12,13);4-7H2,1-3H3,(H,10,12);4,6-7H,5,8H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3;8*1H4
InChIKeySQISTKFABGYNLD-UHFFFAOYSA-N
MW3414.20 g/mol
LogP46.39
Rot. Bonds26

About 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one

1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one (PubChem CID 160907585) has the molecular formula C193H364F5N27O16 and a molecular weight of 3414.20 g/mol. Its IUPAC name is 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one
PubChem CID160907585
Molecular FormulaC193H364F5N27O16
Molecular Weight3414.20 g/mol
Exact Mass3411.84
IUPAC Name1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESC.C.C.C.C.C.C.C.CC(C)(C)CC(=O)N1CCC(F)(F)CC1.CC(C)(C)CCn1cccn1.CC(C)(C)CN1CCCC1=O.CC(C)(C)CN1CCNC(=O)C1.CC(C)(C)Cn1ccc(=O)[nH]c1=O.CC(C)(C)OC(=O)N1CC(C(C)(C)C)C1.CC(C)(C)OC(=O)N1CC(F)(F)C1.CC(C)(C)OC(=O)N1CC(F)C1.CC(C)C(=O)N1CC(C(C)(C)C)C1.CC(C)C1CC(=O)N(C(C)C)C1.CC(C)C1CC(=O)N(C)C1.CC(C)c1nccn1CCC(C)(C)C.Cc1cc(CCC(C)(C)C)on1.Cc1ccnn1CCC(C)(C)C.Cc1cnn(CCC(C)(C)C)c1.Cc1cocc1CC(C)(C)C.Cc1n[nH]c(C)c1CCC(C)(C)C.Cc1nccn1CC(C)C.Cn1ccnc1CCC(C)(C)C
InChIInChI=1S/C12H22N2.C12H23NO2.C11H19F2NO.C11H20N2.C11H21NO.3C10H18N2.C10H19NO.C10H17NO.C10H16O.C9H14N2O2.C9H18N2O.C9H16N2.C9H17NO.C8H13F2NO2.C8H14FNO2.C8H14N2.C8H15NO.8CH4/c1-10(2)11-13-7-9-14(11)8-6-12(3,4)5;1-11(2,3)9-7-13(8-9)10(14)15-12(4,5)6;1-10(2,3)8-9(15)14-6-4-11(12,13)5-7-14;1-8-10(9(2)13-12-8)6-7-11(3,4)5;1-8(2)10(13)12-6-9(7-12)11(3,4)5;1-9-5-7-11-12(9)8-6-10(2,3)4;1-9-7-11-12(8-9)6-5-10(2,3)4;1-10(2,3)6-5-9-11-7-8-12(9)4;1-7(2)9-5-10(12)11(6-9)8(3)4;1-8-7-9(12-11-8)5-6-10(2,3)4;1-8-6-11-7-9(8)5-10(2,3)4;1-9(2,3)6-11-5-4-7(12)10-8(11)13;1-9(2,3)7-11-5-4-10-8(12)6-11;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)7-10-6-4-5-8(10)11;1-7(2,3)13-6(12)11-4-8(9,10)5-11;1-8(2,3)12-7(11)10-4-6(9)5-10;1-7(2)6-10-5-4-9-8(10)3;1-6(2)7-4-8(10)9(3)5-7;;;;;;;;/h7,9-10H,6,8H2,1-5H3;9H,7-8H2,1-6H3;4-8H2,1-3H3;6-7H2,1-5H3,(H,12,13);8-9H,6-7H2,1-5H3;5,7H,6,8H2,1-4H3;2*7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;7H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4-5H,6H2,1-3H3,(H,10,12,13);4-7H2,1-3H3,(H,10,12);4,6-7H,5,8H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3;8*1H4
InChIKeySQISTKFABGYNLD-UHFFFAOYSA-N
XLogP46.39
TPSA452.14 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003414.20
LogP ≤ 546.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;1-(3,3-difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 157143525
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 157477533
4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;2-methyl-1-(2-methylpropyl)imidazole
CID 160089572

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one (CID 160907585) is 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one is C.C.C.C.C.C.C.C.CC(C)(C)CC(=O)N1CCC(F)(F)CC1.CC(C)(C)CCn1cccn1.CC(C)(C)CN1CCCC1=O.CC(C)(C)CN1CCNC(=O)C1.CC(C)(C)Cn1ccc(=O)[nH]c1=O.CC(C)(C)OC(=O)N1CC(C(C)(C)C)C1.CC(C)(C)OC(=O)N1CC(F)(F)C1.CC(C)(C)OC(=O)N1CC(F)C1.CC(C)C(=O)N1CC(C(C)(C)C)C1.CC(C)C1CC(=O)N(C(C)C)C1.CC(C)C1CC(=O)N(C)C1.CC(C)c1nccn1CCC(C)(C)C.Cc1cc(CCC(C)(C)C)on1.Cc1ccnn1CCC(C)(C)C.Cc1cnn(CCC(C)(C)C)c1.Cc1cocc1CC(C)(C)C.Cc1n[nH]c(C)c1CCC(C)(C)C.Cc1nccn1CC(C)C.Cn1ccnc1CCC(C)(C)C.
What is the InChIKey of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is SQISTKFABGYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C12H23NO2.C11H19F2NO.C11H20N2.C11H21NO.3C10H18N2.C10H19NO.C10H17NO.C10H16O.C9H14N2O2.C9H18N2O.C9H16N2.C9H17NO.C8H13F2NO2.C8H14FNO2.C8H14N2.C8H15NO.8CH4/c1-10(2)11-13-7-9-14(11)8-6-12(3,4)5;1-11(2,3)9-7-13(8-9)10(14)15-12(4,5)6;1-10(2,3)8-9(15)14-6-4-11(12,13)5-7-14;1-8-10(9(2)13-12-8)6-7-11(3,4)5;1-8(2)10(13)12-6-9(7-12)11(3,4)5;1-9-5-7-11-12(9)8-6-10(2,3)4;1-9-7-11-12(8-9)6-5-10(2,3)4;1-10(2,3)6-5-9-11-7-8-12(9)4;1-7(2)9-5-10(12)11(6-9)8(3)4;1-8-7-9(12-11-8)5-6-10(2,3)4;1-8-6-11-7-9(8)5-10(2,3)4;1-9(2,3)6-11-5-4-7(12)10-8(11)13;1-9(2,3)7-11-5-4-10-8(12)6-11;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)7-10-6-4-5-8(10)11;1-7(2,3)13-6(12)11-4-8(9,10)5-11;1-8(2,3)12-7(11)10-4-6(9)5-10;1-7(2)6-10-5-4-9-8(10)3;1-6(2)7-4-8(10)9(3)5-7;;;;;;;;/h7,9-10H,6,8H2,1-5H3;9H,7-8H2,1-6H3;4-8H2,1-3H3;6-7H2,1-5H3,(H,12,13);8-9H,6-7H2,1-5H3;5,7H,6,8H2,1-4H3;2*7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;7H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4-5H,6H2,1-3H3,(H,10,12,13);4-7H2,1-3H3,(H,10,12);4,6-7H,5,8H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;6H,4-5H2,1-3H3;4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3;8*1H4.
What are the key properties of 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one?
1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 3414.20 g/mol, XLogP of 46.39, 26 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylazetidin-1-yl)-2-methylpropan-1-one;tert-butyl 3-tert-butylazetidine-1-carboxylate;tert-butyl 3,3-difluoroazetidine-1-carboxylate;tert-butyl 3-fluoroazetidine-1-carboxylate;1-(4,4-difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one;4-(3,3-dimethylbutyl)-3,5-dimethyl-1H-pyrazole;2-(3,3-dimethylbutyl)-1-methylimidazole;5-(3,3-dimethylbutyl)-3-methyl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)-2-propan-2-ylimidazole;1-(3,3-dimethylbutyl)pyrazole;3-(2,2-dimethylpropyl)-4-methylfuran;4-(2,2-dimethylpropyl)piperazin-2-one;1-(2,2-dimethylpropyl)pyrimidine-2,4-dione;1-(2,2-dimethylpropyl)pyrrolidin-2-one;1,4-di(propan-2-yl)pyrrolidin-2-one;methane;2-methyl-1-(2-methylpropyl)imidazole;1-methyl-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 160907585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).