tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane

C196H323F2N21O10S8 — CID 160630483

IUPACtert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane
SMILESCC1C2CN(C)CC12.CC1CN(C)C1.CCC1CCCN1C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CN(C(=O)OC(C)(C)C)C1.CCCC1CCCC1.CCCC1CCCO1.CCCC1CCN(C(=O)OC(C)(C)C)CC1.CCCCC.CCCCOC.CCCCS(C)(=O)=O.CCc1ccc(C)cc1.CCc1ccc(C)s1.CCc1ccccn1.CCc1ccnn1C.CCc1cnc(C(C)C)s1.CCc1cnc(C)s1.CCc1cnc2ccc(C)cn12.CCc1cnc2cccc(C)n12.CCc1cnc2ccccn12.CCc1cnccc1C(C)(F)F.CCc1csc(C(C)C)n1.CCc1nc2ccccc2s1.CCc1sc(C)nc1C.CCc1sccc1C
InChIInChI=1S/C13H25NO2.C12H23NO2.2C10H12N2.C10H19NO2.C9H11F2N.C9H10N2.C9H9NS.C9H12.2C8H13NS.C8H16.C7H11NS.C7H13N.C7H15N.C7H9N.C7H14O.2C7H10S.C6H10N2.C6H9NS.C5H11N.C5H12O2S.C5H12O.C5H12/c1-5-6-11-7-9-14(10-8-11)12(15)16-13(2,3)4;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-3-9-6-11-10-5-4-8(2)7-12(9)10;1-3-9-7-11-10-6-4-5-8(2)12(9)10;1-5-8-6-11(7-8)9(12)13-10(2,3)4;1-3-7-6-12-5-4-8(7)9(2,10)11;1-2-8-7-10-9-5-3-4-6-11(8)9;1-2-9-10-7-5-3-4-6-8(7)11-9;1-3-9-6-4-8(2)5-7-9;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-2-5-8-6-3-4-7-8;1-4-7-5(2)8-6(3)9-7;1-5-6-3-8(2)4-7(5)6;1-3-7-5-4-6-8(7)2;1-2-7-5-3-4-6-8-7;1-2-4-7-5-3-6-8-7;1-3-7-6(2)4-5-8-7;1-3-7-5-4-6(2)8-7;1-3-6-4-5-7-8(6)2;1-3-6-4-7-5(2)8-6;1-5-3-6(2)4-5;1-3-4-5-8(2,6)7;1-3-4-5-6-2;1-3-5-4-2/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;2*4-7H,3H2,1-2H3;8H,5-7H2,1-4H3;4-6H,3H2,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;2*5-6H,4H2,1-3H3;8H,2-7H2,1H3;4H2,1-3H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;3-6H,2H2,1H3;7H,2-6H2,1H3;3*4-5H,3H2,1-2H3;4H,3H2,1-2H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3
InChIKeyRHVYZURNKRAVKJ-UHFFFAOYSA-N
MW3428.41 g/mol
LogP53.35
Rot. Bonds34

About tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane

tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane (PubChem CID 160630483) has the molecular formula C196H323F2N21O10S8 and a molecular weight of 3428.41 g/mol. Its IUPAC name is tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane.

Molecular Properties

Compound Nametert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane
PubChem CID160630483
Molecular FormulaC196H323F2N21O10S8
Molecular Weight3428.41 g/mol
Exact Mass3425.31
IUPAC Nametert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane
SMILESCC1C2CN(C)CC12.CC1CN(C)C1.CCC1CCCN1C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CN(C(=O)OC(C)(C)C)C1.CCCC1CCCC1.CCCC1CCCO1.CCCC1CCN(C(=O)OC(C)(C)C)CC1.CCCCC.CCCCOC.CCCCS(C)(=O)=O.CCc1ccc(C)cc1.CCc1ccc(C)s1.CCc1ccccn1.CCc1ccnn1C.CCc1cnc(C(C)C)s1.CCc1cnc(C)s1.CCc1cnc2ccc(C)cn12.CCc1cnc2cccc(C)n12.CCc1cnc2ccccn12.CCc1cnccc1C(C)(F)F.CCc1csc(C(C)C)n1.CCc1nc2ccccc2s1.CCc1sc(C)nc1C.CCc1sccc1C
InChIInChI=1S/C13H25NO2.C12H23NO2.2C10H12N2.C10H19NO2.C9H11F2N.C9H10N2.C9H9NS.C9H12.2C8H13NS.C8H16.C7H11NS.C7H13N.C7H15N.C7H9N.C7H14O.2C7H10S.C6H10N2.C6H9NS.C5H11N.C5H12O2S.C5H12O.C5H12/c1-5-6-11-7-9-14(10-8-11)12(15)16-13(2,3)4;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-3-9-6-11-10-5-4-8(2)7-12(9)10;1-3-9-7-11-10-6-4-5-8(2)12(9)10;1-5-8-6-11(7-8)9(12)13-10(2,3)4;1-3-7-6-12-5-4-8(7)9(2,10)11;1-2-8-7-10-9-5-3-4-6-11(8)9;1-2-9-10-7-5-3-4-6-8(7)11-9;1-3-9-6-4-8(2)5-7-9;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-2-5-8-6-3-4-7-8;1-4-7-5(2)8-6(3)9-7;1-5-6-3-8(2)4-7(5)6;1-3-7-5-4-6-8(7)2;1-2-7-5-3-4-6-8-7;1-2-4-7-5-3-6-8-7;1-3-7-6(2)4-5-8-7;1-3-7-5-4-6(2)8-7;1-3-6-4-5-7-8(6)2;1-3-6-4-7-5(2)8-6;1-5-3-6(2)4-5;1-3-4-5-8(2,6)7;1-3-4-5-6-2;1-3-5-4-2/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;2*4-7H,3H2,1-2H3;8H,5-7H2,1-4H3;4-6H,3H2,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;2*5-6H,4H2,1-3H3;8H,2-7H2,1H3;4H2,1-3H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;3-6H,2H2,1H3;7H,2-6H2,1H3;3*4-5H,3H2,1-2H3;4H,3H2,1-2H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3
InChIKeyRHVYZURNKRAVKJ-UHFFFAOYSA-N
XLogP53.35
TPSA310.89 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003428.41
LogP ≤ 553.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane?
The IUPAC name of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane (CID 160630483) is tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane.
What is the SMILES notation for tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane?
The canonical SMILES for tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane is CC1C2CN(C)CC12.CC1CN(C)C1.CCC1CCCN1C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CN(C(=O)OC(C)(C)C)C1.CCCC1CCCC1.CCCC1CCCO1.CCCC1CCN(C(=O)OC(C)(C)C)CC1.CCCCC.CCCCOC.CCCCS(C)(=O)=O.CCc1ccc(C)cc1.CCc1ccc(C)s1.CCc1ccccn1.CCc1ccnn1C.CCc1cnc(C(C)C)s1.CCc1cnc(C)s1.CCc1cnc2ccc(C)cn12.CCc1cnc2cccc(C)n12.CCc1cnc2ccccn12.CCc1cnccc1C(C)(F)F.CCc1csc(C(C)C)n1.CCc1nc2ccccc2s1.CCc1sc(C)nc1C.CCc1sccc1C.
What is the InChIKey of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane?
The InChIKey is RHVYZURNKRAVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.C12H23NO2.2C10H12N2.C10H19NO2.C9H11F2N.C9H10N2.C9H9NS.C9H12.2C8H13NS.C8H16.C7H11NS.C7H13N.C7H15N.C7H9N.C7H14O.2C7H10S.C6H10N2.C6H9NS.C5H11N.C5H12O2S.C5H12O.C5H12/c1-5-6-11-7-9-14(10-8-11)12(15)16-13(2,3)4;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-3-9-6-11-10-5-4-8(2)7-12(9)10;1-3-9-7-11-10-6-4-5-8(2)12(9)10;1-5-8-6-11(7-8)9(12)13-10(2,3)4;1-3-7-6-12-5-4-8(7)9(2,10)11;1-2-8-7-10-9-5-3-4-6-11(8)9;1-2-9-10-7-5-3-4-6-8(7)11-9;1-3-9-6-4-8(2)5-7-9;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-2-5-8-6-3-4-7-8;1-4-7-5(2)8-6(3)9-7;1-5-6-3-8(2)4-7(5)6;1-3-7-5-4-6-8(7)2;1-2-7-5-3-4-6-8-7;1-2-4-7-5-3-6-8-7;1-3-7-6(2)4-5-8-7;1-3-7-5-4-6(2)8-7;1-3-6-4-5-7-8(6)2;1-3-6-4-7-5(2)8-6;1-5-3-6(2)4-5;1-3-4-5-8(2,6)7;1-3-4-5-6-2;1-3-5-4-2/h11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;2*4-7H,3H2,1-2H3;8H,5-7H2,1-4H3;4-6H,3H2,1-2H3;3-7H,2H2,1H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;2*5-6H,4H2,1-3H3;8H,2-7H2,1H3;4H2,1-3H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;3-6H,2H2,1H3;7H,2-6H2,1H3;3*4-5H,3H2,1-2H3;4H,3H2,1-2H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3.
What are the key properties of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane?
tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane has a molecular weight of 3428.41 g/mol, XLogP of 53.35, 34 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-propylpiperidine-1-carboxylate;4-(1,1-difluoroethyl)-3-ethylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;3-ethylimidazo[1,2-a]pyridine;1-ethyl-4-methylbenzene;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;2-ethyl-1-methylpyrrolidine;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;1-methylsulfonylbutane;pentane;propylcyclopentane;2-propyloxolane is sourced from PubChem (CID 160630483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).