tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate

C228H394F2N22O6 — CID 161156432

IUPACtert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate
SMILESC#CC1(C(C)(C)C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCN(c2ncccn2)CC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCC1(CC(C)(C)C)CC1.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.COC(=O)C1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1cccn1CC1(CC(C)(C)C)CC1
InChIInChI=1S/2C14H24N2.C14H23N.C14H27N.C13H21N3.C13H20N2O.C13H25N.C13H21N.C12H23F2N.C12H21NO3.C11H17N.C11H16.C10H16N2.C10H18O2.2C10H20.C9H16N2.C9H14N2.C9H14.C7H14/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;1-12-6-5-9-15(12)11-14(7-8-14)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)11-5-9-16(10-6-11)12-14-7-4-8-15-12;1-12(2,3)9-13(5-6-13)10-16-11-14-7-4-8-15-11;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;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-5-9-11-7-4-8-12-9;1-9(2,3)7-10(5-6-10)8(11)12-4;1-10(2,3)9-7-5-4-6-8-9;1-5-10(6-7-10)8-9(2,3)4;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)7-8-10-5-4-6-11-8;1-5-9(6-7-9)8(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;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4,7-8,11H,5-6,9-10H2,1-3H3;4,7-8H,5-6,9-10H2,1-3H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4,7-8H,5-6H2,1-3H3;5-7H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;4,6-7H,5,8H2,1-3H3;4-6H,7H2,1-3H3;1H,6-7H2,2-4H3;6H,4-5H2,1-3H3
InChIKeyUPIVLLXRVFQETK-UHFFFAOYSA-N
MW3577.80 g/mol
LogP61.04
Rot. Bonds39

About tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate

tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate (PubChem CID 161156432) has the molecular formula C228H394F2N22O6 and a molecular weight of 3577.80 g/mol. Its IUPAC name is tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate
PubChem CID161156432
Molecular FormulaC228H394F2N22O6
Molecular Weight3577.80 g/mol
Exact Mass3575.12
IUPAC Nametert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate
SMILESC#CC1(C(C)(C)C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCN(c2ncccn2)CC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCC1(CC(C)(C)C)CC1.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.COC(=O)C1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1cccn1CC1(CC(C)(C)C)CC1
InChIInChI=1S/2C14H24N2.C14H23N.C14H27N.C13H21N3.C13H20N2O.C13H25N.C13H21N.C12H23F2N.C12H21NO3.C11H17N.C11H16.C10H16N2.C10H18O2.2C10H20.C9H16N2.C9H14N2.C9H14.C7H14/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;1-12-6-5-9-15(12)11-14(7-8-14)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)11-5-9-16(10-6-11)12-14-7-4-8-15-12;1-12(2,3)9-13(5-6-13)10-16-11-14-7-4-8-15-11;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;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-5-9-11-7-4-8-12-9;1-9(2,3)7-10(5-6-10)8(11)12-4;1-10(2,3)9-7-5-4-6-8-9;1-5-10(6-7-10)8-9(2,3)4;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)7-8-10-5-4-6-11-8;1-5-9(6-7-9)8(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;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4,7-8,11H,5-6,9-10H2,1-3H3;4,7-8H,5-6,9-10H2,1-3H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4,7-8H,5-6H2,1-3H3;5-7H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;4,6-7H,5,8H2,1-3H3;4-6H,7H2,1-3H3;1H,6-7H2,2-4H3;6H,4-5H2,1-3H3
InChIKeyUPIVLLXRVFQETK-UHFFFAOYSA-N
XLogP61.04
TPSA274.43 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds39
Heavy Atoms258
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003577.80
LogP ≤ 561.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate (CID 161156432) is tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate is C#CC1(C(C)(C)C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCN(c2ncccn2)CC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CC1(Cn2cccc2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCC1(CC(C)(C)C)CC1.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.COC(=O)C1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1cccn1CC1(CC(C)(C)C)CC1.
What is the InChIKey of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate?
The InChIKey is UPIVLLXRVFQETK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H24N2.C14H23N.C14H27N.C13H21N3.C13H20N2O.C13H25N.C13H21N.C12H23F2N.C12H21NO3.C11H17N.C11H16.C10H16N2.C10H18O2.2C10H20.C9H16N2.C9H14N2.C9H14.C7H14/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;1-12-6-5-9-15(12)11-14(7-8-14)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)11-5-9-16(10-6-11)12-14-7-4-8-15-12;1-12(2,3)9-13(5-6-13)10-16-11-14-7-4-8-15-11;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;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)6-5-9-11-7-4-8-12-9;1-9(2,3)7-10(5-6-10)8(11)12-4;1-10(2,3)9-7-5-4-6-8-9;1-5-10(6-7-10)8-9(2,3)4;1-9(2,3)5-8-11-7-4-6-10-11;1-9(2,3)7-8-10-5-4-6-11-8;1-5-9(6-7-9)8(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;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4,7-8,11H,5-6,9-10H2,1-3H3;4,7-8H,5-6,9-10H2,1-3H3;4-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4,7-8H,5-6H2,1-3H3;5-7H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;4,6-7H,5,8H2,1-3H3;4-6H,7H2,1-3H3;1H,6-7H2,2-4H3;6H,4-5H2,1-3H3.
What are the key properties of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate?
tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate has a molecular weight of 3577.80 g/mol, XLogP of 61.04, 39 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyridine;2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;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-methylpyrrole;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)-1-ethylcyclopropane;2-(2,2-dimethylpropyl)pyrimidine;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;methyl 1-(2,2-dimethylpropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 161156432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).