tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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

C213H366F4N30O7 — CID 157237824

IUPACtert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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#CC1(C(C)(C)C)CC1.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)Cc1nccc(OCC2CC2)n1.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.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.COc1ccnc(CC(C)(C)C)n1.Cc1ccn(CCC(C)(C)C)n1.Cc1nccn1CC1(CC(C)(C)C)CC1
InChIInChI=1S/C14H24N2.C14H27N.C13H20N2O.C13H22N2.C13H25N.C13H21N.C12H23F2N.C12H16N4.C12H21NO3.C11H18F2N2.C11H15N3.C10H16N2O.C10H18N2.C10H15NO.C9H14N2O.C9H16N2.C9H19N.C9H14.C7H14.2CH4/c1-5-12-15-8-9-16(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;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-9-5-7-12(11-9)8-6-10(2,3)4;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;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)8-4-6-10-7-5-8;1-5-9(6-7-9)8(2,3)4;1-7(2,3)6-4-5-6;;/h8-9H,5-7,10-11H2,1-4H3;4-12H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;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;5-6H,7H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;1H,6-7H2,2-4H3;6H,4-5H2,1-3H3;2*1H4
InChIKeyAUVOZSPGFYYHBP-UHFFFAOYSA-N
MW3535.47 g/mol
LogP53.79
Rot. Bonds39

About tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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 157237824) has the molecular formula C213H366F4N30O7 and a molecular weight of 3535.47 g/mol. Its IUPAC name is tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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 CID157237824
Molecular FormulaC213H366F4N30O7
Molecular Weight3535.47 g/mol
Exact Mass3532.91
IUPAC Nametert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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#CC1(C(C)(C)C)CC1.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)Cc1nccc(OCC2CC2)n1.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.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.COc1ccnc(CC(C)(C)C)n1.Cc1ccn(CCC(C)(C)C)n1.Cc1nccn1CC1(CC(C)(C)C)CC1
InChIInChI=1S/C14H24N2.C14H27N.C13H20N2O.C13H22N2.C13H25N.C13H21N.C12H23F2N.C12H16N4.C12H21NO3.C11H18F2N2.C11H15N3.C10H16N2O.C10H18N2.C10H15NO.C9H14N2O.C9H16N2.C9H19N.C9H14.C7H14.2CH4/c1-5-12-15-8-9-16(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;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-9-5-7-12(11-9)8-6-10(2,3)4;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;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)8-4-6-10-7-5-8;1-5-9(6-7-9)8(2,3)4;1-7(2,3)6-4-5-6;;/h8-9H,5-7,10-11H2,1-4H3;4-12H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;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;5-6H,7H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;1H,6-7H2,2-4H3;6H,4-5H2,1-3H3;2*1H4
InChIKeyAUVOZSPGFYYHBP-UHFFFAOYSA-N
XLogP53.79
TPSA363.85 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds39
Heavy Atoms254
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003535.47
LogP ≤ 553.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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 157237824) is tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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#CC1(C(C)(C)C)CC1.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)Cc1nccc(OCC2CC2)n1.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.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.COc1ccnc(CC(C)(C)C)n1.Cc1ccn(CCC(C)(C)C)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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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 AUVOZSPGFYYHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.C14H27N.C13H20N2O.C13H22N2.C13H25N.C13H21N.C12H23F2N.C12H16N4.C12H21NO3.C11H18F2N2.C11H15N3.C10H16N2O.C10H18N2.C10H15NO.C9H14N2O.C9H16N2.C9H19N.C9H14.C7H14.2CH4/c1-5-12-15-8-9-16(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;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-9-5-7-12(11-9)8-6-10(2,3)4;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;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)8-4-6-10-7-5-8;1-5-9(6-7-9)8(2,3)4;1-7(2,3)6-4-5-6;;/h8-9H,5-7,10-11H2,1-4H3;4-12H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;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;5-6H,7H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4,6-7H,5,8H2,1-3H3;8,10H,4-7H2,1-3H3;1H,6-7H2,2-4H3;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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 3535.47 g/mol, XLogP of 53.79, 39 rotatable bonds, 1 hydrogen bond donors, and 36 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-1-ethynylcyclopropane;4-tert-butylpiperidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;2-(2,2-dimethylpropyl)benzotriazole;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;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;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 157237824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).