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

C175H314F5N25O14 — CID 157143525

IUPAC1-(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
SMILESCC(C)(C)CC(=O)N1CC(F)(F)C1.CC(C)(C)CC(=O)N1CC(F)C1.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(=O)N1CC(C(C)(C)C)C1.CC(C)C1CC(=O)N(C(C)C)C1.CC(C)C1CC(=O)N(C)C1.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/C12H23NO2.C11H19F2NO.C11H20N2.C11H21NO.3C10H18N2.C10H19NO.C10H17NO.C10H16O.C9H15F2NO.C9H16FNO.C9H14N2O2.C9H18N2O.C9H16N2.C9H17NO.C8H14N2.C8H15NO/c1-11(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;1-8(2,3)4-7(13)12-5-9(10,11)6-12;1-9(2,3)4-8(12)11-5-7(10)6-11;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)6-10-5-4-9-8(10)3;1-6(2)7-4-8(10)9(3)5-7/h9H,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;4-6H2,1-3H3;7H,4-6H2,1-3H3;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;4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyAKLJYBVAOORDEP-UHFFFAOYSA-N
MW3087.59 g/mol
LogP37.92
Rot. Bonds25

About 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

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 (PubChem CID 157143525) has the molecular formula C175H314F5N25O14 and a molecular weight of 3087.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157143525
Molecular FormulaC175H314F5N25O14
Molecular Weight3087.59 g/mol
Exact Mass3085.45
IUPAC Name1-(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
SMILESCC(C)(C)CC(=O)N1CC(F)(F)C1.CC(C)(C)CC(=O)N1CC(F)C1.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(=O)N1CC(C(C)(C)C)C1.CC(C)C1CC(=O)N(C(C)C)C1.CC(C)C1CC(=O)N(C)C1.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/C12H23NO2.C11H19F2NO.C11H20N2.C11H21NO.3C10H18N2.C10H19NO.C10H17NO.C10H16O.C9H15F2NO.C9H16FNO.C9H14N2O2.C9H18N2O.C9H16N2.C9H17NO.C8H14N2.C8H15NO/c1-11(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;1-8(2,3)4-7(13)12-5-9(10,11)6-12;1-9(2,3)4-8(12)11-5-7(10)6-11;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)6-10-5-4-9-8(10)3;1-6(2)7-4-8(10)9(3)5-7/h9H,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;4-6H2,1-3H3;7H,4-6H2,1-3H3;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;4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyAKLJYBVAOORDEP-UHFFFAOYSA-N
XLogP37.92
TPSA415.86 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms219
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003087.59
LogP ≤ 537.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)CC(=O)N1CC(F)(F)C1.CC(C)(C)CC(=O)N1CC(F)C1.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(=O)N1CC(C(C)(C)C)C1.CC(C)C1CC(=O)N(C(C)C)C1.CC(C)C1CC(=O)N(C)C1.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;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?
The InChIKey is AKLJYBVAOORDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C11H19F2NO.C11H20N2.C11H21NO.3C10H18N2.C10H19NO.C10H17NO.C10H16O.C9H15F2NO.C9H16FNO.C9H14N2O2.C9H18N2O.C9H16N2.C9H17NO.C8H14N2.C8H15NO/c1-11(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;1-8(2,3)4-7(13)12-5-9(10,11)6-12;1-9(2,3)4-8(12)11-5-7(10)6-11;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)6-10-5-4-9-8(10)3;1-6(2)7-4-8(10)9(3)5-7/h9H,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;4-6H2,1-3H3;7H,4-6H2,1-3H3;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;4-5,7H,6H2,1-3H3;6-7H,4-5H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 3087.59 g/mol, XLogP of 37.92, 25 rotatable bonds, 3 hydrogen bond donors, and 28 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;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 is sourced from PubChem (CID 157143525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).