tert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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

C247H423F2N29O6 — CID 158970518

IUPACtert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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
SMILESCC(C)(C)C1(C#N)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCN(c2ncccn2)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CC1(Cn2ccnc2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cn1nc2ccccc2n1.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.C12H23F2N.C12H20N2.C12H21NO3.C11H15N3.2C11H17N.C11H16.C10H16N2.C10H18O2.C10H20.C9H16N2.C9H14N2.C9H19N.C8H13N.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;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;1-11(2,3)8-12(4-5-12)9-14-7-6-13-10-14;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;2*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;1-5-10(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;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)8(6-9)4-5-8;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;10H,5-9H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4,7-8H,5-6H2,1-3H3;5-7H2,1-4H3;5-8H2,1-4H3;4,6-7H,5,8H2,1-3H3;4-6H,7H2,1-3H3;8,10H,4-7H2,1-3H3;4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyJNTHGHAGZGZFPB-UHFFFAOYSA-N
MW3933.29 g/mol
LogP64.28
Rot. Bonds42

About tert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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 158970518) has the molecular formula C247H423F2N29O6 and a molecular weight of 3933.29 g/mol. Its IUPAC name is tert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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 CID158970518
Molecular FormulaC247H423F2N29O6
Molecular Weight3933.29 g/mol
Exact Mass3930.37
IUPAC Nametert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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
SMILESCC(C)(C)C1(C#N)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCN(c2ncccn2)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CC1(Cn2ccnc2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cn1nc2ccccc2n1.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.C12H23F2N.C12H20N2.C12H21NO3.C11H15N3.2C11H17N.C11H16.C10H16N2.C10H18O2.C10H20.C9H16N2.C9H14N2.C9H19N.C8H13N.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;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;1-11(2,3)8-12(4-5-12)9-14-7-6-13-10-14;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;2*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;1-5-10(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;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)8(6-9)4-5-8;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;10H,5-9H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4,7-8H,5-6H2,1-3H3;5-7H2,1-4H3;5-8H2,1-4H3;4,6-7H,5,8H2,1-3H3;4-6H,7H2,1-3H3;8,10H,4-7H2,1-3H3;4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyJNTHGHAGZGZFPB-UHFFFAOYSA-N
XLogP64.28
TPSA366.74 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003933.29
LogP ≤ 564.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze tert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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 158970518) is tert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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 CC(C)(C)C1(C#N)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCN(c2ncccn2)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CC1(Cn2ccnc2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cn1nc2ccccc2n1.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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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 JNTHGHAGZGZFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H24N2.C14H23N.C14H27N.C13H21N3.C13H20N2O.C13H25N.C12H23F2N.C12H20N2.C12H21NO3.C11H15N3.2C11H17N.C11H16.C10H16N2.C10H18O2.C10H20.C9H16N2.C9H14N2.C9H19N.C8H13N.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;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;1-11(2,3)8-12(4-5-12)9-14-7-6-13-10-14;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;2*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;1-5-10(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;1-9(2,3)8-4-6-10-7-5-8;1-7(2,3)8(6-9)4-5-8;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;10H,5-9H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;9H,5-8H2,1-4H3;4-7H,8H2,1-3H3;2*4-6,9H,7-8H2,1-3H3;4-8H,9H2,1-3H3;4,7-8H,5-6H2,1-3H3;5-7H2,1-4H3;5-8H2,1-4H3;4,6-7H,5,8H2,1-3H3;4-6H,7H2,1-3H3;8,10H,4-7H2,1-3H3;4-5H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of tert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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 3933.29 g/mol, XLogP of 64.28, 42 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane;1-tert-butylcyclopropane-1-carbonitrile;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butylpiperidine;2-(4-tert-butylpiperidin-1-yl)pyrimidine;1-(3,3-dimethylbutyl)pyrazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)benzotriazole;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]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;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 158970518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).