tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine

C234H402F4N34O7S — CID 157333175

IUPACtert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
SMILESC.C.C#CC1CC1C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.CC(C)(C)CCn1cccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CC(c1nc(C2CC2)no1)C(C)(C)C.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1nccn1CC1(CC(C)(C)C)CC1
InChIInChI=1S/2C14H24N2.C14H27N.C13H22N2.C13H25N.C13H21N.C12H23F2N.C12H16N4.C12H21NO3.C11H18F2N2.C11H15N3.C11H18N2O.C10H16N2O.C10H16N2S.C10H15NO.C9H14N2O.2C9H16N2.C9H19N.C9H14.C7H14.2CH4/c1-11-8-12(2)16(15-11)10-14(6-7-14)9-13(3,4)5;1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;1-11-14-7-8-15(11)10-13(5-6-13)9-12(2,3)4;2*1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)12-7-8-10-5-4-6-11-8;2*1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)8-4-6-10-7-5-8;1-5-7-6-8(7)9(2,3)4;1-7(2,3)6-4-5-6;;/h8H,6-7,9-10H2,1-5H3;8-9H,5-7,10-11H2,1-4H3;4-12H2,1-3H3;7-8H,5-6,9-10H2,1-4H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;9H,5-8H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;2*4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;1,7-8H,6H2,2-4H3;6H,4-5H2,1-3H3;2*1H4
InChIKeyBFNJCZIIIVJRIS-UHFFFAOYSA-N
MW3912.08 g/mol
LogP60.76
Rot. Bonds42

About tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine

tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (PubChem CID 157333175) has the molecular formula C234H402F4N34O7S and a molecular weight of 3912.08 g/mol. Its IUPAC name is tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.

Molecular Properties

Compound Nametert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
PubChem CID157333175
Molecular FormulaC234H402F4N34O7S
Molecular Weight3912.08 g/mol
Exact Mass3909.18
IUPAC Nametert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
SMILESC.C.C#CC1CC1C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.CC(C)(C)CCn1cccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CC(c1nc(C2CC2)no1)C(C)(C)C.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1nccn1CC1(CC(C)(C)C)CC1
InChIInChI=1S/2C14H24N2.C14H27N.C13H22N2.C13H25N.C13H21N.C12H23F2N.C12H16N4.C12H21NO3.C11H18F2N2.C11H15N3.C11H18N2O.C10H16N2O.C10H16N2S.C10H15NO.C9H14N2O.2C9H16N2.C9H19N.C9H14.C7H14.2CH4/c1-11-8-12(2)16(15-11)10-14(6-7-14)9-13(3,4)5;1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;1-11-14-7-8-15(11)10-13(5-6-13)9-12(2,3)4;2*1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)12-7-8-10-5-4-6-11-8;2*1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)8-4-6-10-7-5-8;1-5-7-6-8(7)9(2,3)4;1-7(2,3)6-4-5-6;;/h8H,6-7,9-10H2,1-5H3;8-9H,5-7,10-11H2,1-4H3;4-12H2,1-3H3;7-8H,5-6,9-10H2,1-4H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;9H,5-8H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;2*4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;1,7-8H,6H2,2-4H3;6H,4-5H2,1-3H3;2*1H4
InChIKeyBFNJCZIIIVJRIS-UHFFFAOYSA-N
XLogP60.76
TPSA415.27 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003912.08
LogP ≤ 560.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?
The IUPAC name of tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (CID 157333175) is tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.
What is the SMILES notation for tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?
The canonical SMILES for tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine is C.C.C#CC1CC1C(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.CC(C)(C)CCn1cccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CC(c1nc(C2CC2)no1)C(C)(C)C.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1nccn1CC1(CC(C)(C)C)CC1.
What is the InChIKey of tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?
The InChIKey is BFNJCZIIIVJRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H24N2.C14H27N.C13H22N2.C13H25N.C13H21N.C12H23F2N.C12H16N4.C12H21NO3.C11H18F2N2.C11H15N3.C11H18N2O.C10H16N2O.C10H16N2S.C10H15NO.C9H14N2O.2C9H16N2.C9H19N.C9H14.C7H14.2CH4/c1-11-8-12(2)16(15-11)10-14(6-7-14)9-13(3,4)5;1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;1-11-14-7-8-15(11)10-13(5-6-13)9-12(2,3)4;2*1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)12-7-8-10-5-4-6-11-8;2*1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)8-4-6-10-7-5-8;1-5-7-6-8(7)9(2,3)4;1-7(2,3)6-4-5-6;;/h8H,6-7,9-10H2,1-5H3;8-9H,5-7,10-11H2,1-4H3;4-12H2,1-3H3;7-8H,5-6,9-10H2,1-4H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;9H,5-8H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;2*4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;1,7-8H,6H2,2-4H3;6H,4-5H2,1-3H3;2*1H4.
What are the key properties of tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?
tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine has a molecular weight of 3912.08 g/mol, XLogP of 60.76, 42 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-2-ethynylcyclopropane;4-tert-butylpiperidine;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methane;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine is sourced from PubChem (CID 157333175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).