tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene

C185H285ClF2N22O15S8 — CID 161129716

IUPACtert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene
SMILESC=C(OC)N1CC(C)C1.CC1C2CN(C)CC12.CC1CCCC1.CC1CCCCC1.CC1CCCCO1.CC1CCCO1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CN(C(=O)OC(C)(C)C)C1.CN1CCCC1=O.COC.CS(C)(=O)=O.C[C@H]1CCCN1C(=O)OC(C)(C)C.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc2ncc(C)n12.Cc1ccccn1.Cc1ccco1.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(Cl)s1.Cc1cnc2ccccn12.Cc1cnccc1C(C)(F)F.Cc1csc(C(C)C)n1.Cc1nc(C)c(C)s1.Cc1nc2ccccc2s1.Cn1ccccc1=O
InChIInChI=1S/C11H21NO2.C10H19NO2.2C9H10N2.C9H17NO2.C8H9F2N.C8H8N2.C8H7NS.C8H10.C7H13NO.2C7H11NS.C7H13N.C7H14.C6H7NO.C6H9NS.C6H7N.C6H12O.2C6H8S.C6H12.C5H8N2.C5H9NO.C5H10O.C5H6O.C4H4ClNS.C2H6O2S.C2H6O/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-8-6-5-7-11(8)9(12)13-10(2,3)4;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-4-3-5-9-10-6-8(2)11(7)9;1-7-5-10(6-7)8(11)12-9(2,3)4;1-6-5-11-4-3-7(6)8(2,9)10;1-7-6-9-8-4-2-3-5-10(7)8;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(2)6-4-7;1-6-4-8(5-6)7(2)9-3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5-6-3-8(2)4-7(5)6;1-7-5-3-2-4-6-7;1-7-5-3-2-4-6(7)8;1-4-5(2)8-6(3)7-4;2*1-6-4-2-3-5-7-6;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-3-4-6-7(5)2;1-6-4-2-3-5(6)7;2*1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-5(2,3)4;1-3-2/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*3-6H,1-2H3;7H,5-6H2,1-4H3;3-5H,1-2H3;2-6H,1H3;2-5H,1H3;3-6H,1-2H3;6H,2,4-5H2,1,3H3;2*4-5H,1-3H3;5-7H,3-4H2,1-2H3;7H,2-6H2,1H3;2-5H,1H3;1-3H3;2-5H,1H3;6H,2-5H2,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;3-4H,1-2H3;2-4H2,1H3;5H,2-4H2,1H3;2-4H,1H3;2H,1H3;1-2H3;1-2H3/t;8-;;;;;;;;;;;;;;;;;;;;;;;;;;/m.0........................../s1
InChIKeyUMAIFTVRAHCIJN-FUDAYXCKSA-N
MW3387.44 g/mol
LogP47.61
Rot. Bonds5

About tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene

tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene (PubChem CID 161129716) has the molecular formula C185H285ClF2N22O15S8 and a molecular weight of 3387.44 g/mol. Its IUPAC name is tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene.

Molecular Properties

Compound Nametert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene
PubChem CID161129716
Molecular FormulaC185H285ClF2N22O15S8
Molecular Weight3387.44 g/mol
Exact Mass3383.96
IUPAC Nametert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene
SMILESC=C(OC)N1CC(C)C1.CC1C2CN(C)CC12.CC1CCCC1.CC1CCCCC1.CC1CCCCO1.CC1CCCO1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CN(C(=O)OC(C)(C)C)C1.CN1CCCC1=O.COC.CS(C)(=O)=O.C[C@H]1CCCN1C(=O)OC(C)(C)C.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc2ncc(C)n12.Cc1ccccn1.Cc1ccco1.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(Cl)s1.Cc1cnc2ccccn12.Cc1cnccc1C(C)(F)F.Cc1csc(C(C)C)n1.Cc1nc(C)c(C)s1.Cc1nc2ccccc2s1.Cn1ccccc1=O
InChIInChI=1S/C11H21NO2.C10H19NO2.2C9H10N2.C9H17NO2.C8H9F2N.C8H8N2.C8H7NS.C8H10.C7H13NO.2C7H11NS.C7H13N.C7H14.C6H7NO.C6H9NS.C6H7N.C6H12O.2C6H8S.C6H12.C5H8N2.C5H9NO.C5H10O.C5H6O.C4H4ClNS.C2H6O2S.C2H6O/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-8-6-5-7-11(8)9(12)13-10(2,3)4;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-4-3-5-9-10-6-8(2)11(7)9;1-7-5-10(6-7)8(11)12-9(2,3)4;1-6-5-11-4-3-7(6)8(2,9)10;1-7-6-9-8-4-2-3-5-10(7)8;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(2)6-4-7;1-6-4-8(5-6)7(2)9-3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5-6-3-8(2)4-7(5)6;1-7-5-3-2-4-6-7;1-7-5-3-2-4-6(7)8;1-4-5(2)8-6(3)7-4;2*1-6-4-2-3-5-7-6;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-3-4-6-7(5)2;1-6-4-2-3-5(6)7;2*1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-5(2,3)4;1-3-2/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*3-6H,1-2H3;7H,5-6H2,1-4H3;3-5H,1-2H3;2-6H,1H3;2-5H,1H3;3-6H,1-2H3;6H,2,4-5H2,1,3H3;2*4-5H,1-3H3;5-7H,3-4H2,1-2H3;7H,2-6H2,1H3;2-5H,1H3;1-3H3;2-5H,1H3;6H,2-5H2,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;3-4H,1-2H3;2-4H2,1H3;5H,2-4H2,1H3;2-4H,1H3;2H,1H3;1-2H3;1-2H3/t;8-;;;;;;;;;;;;;;;;;;;;;;;;;;/m.0........................../s1
InChIKeyUMAIFTVRAHCIJN-FUDAYXCKSA-N
XLogP47.61
TPSA381.56 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds5
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003387.44
LogP ≤ 547.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene?
The IUPAC name of tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene (CID 161129716) is tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene.
What is the SMILES notation for tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene?
The canonical SMILES for tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene is C=C(OC)N1CC(C)C1.CC1C2CN(C)CC12.CC1CCCC1.CC1CCCCC1.CC1CCCCO1.CC1CCCO1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CN(C(=O)OC(C)(C)C)C1.CN1CCCC1=O.COC.CS(C)(=O)=O.C[C@H]1CCCN1C(=O)OC(C)(C)C.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc2ncc(C)n12.Cc1ccccn1.Cc1ccco1.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(Cl)s1.Cc1cnc2ccccn12.Cc1cnccc1C(C)(F)F.Cc1csc(C(C)C)n1.Cc1nc(C)c(C)s1.Cc1nc2ccccc2s1.Cn1ccccc1=O.
What is the InChIKey of tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene?
The InChIKey is UMAIFTVRAHCIJN-FUDAYXCKSA-N. The full InChI is InChI=1S/C11H21NO2.C10H19NO2.2C9H10N2.C9H17NO2.C8H9F2N.C8H8N2.C8H7NS.C8H10.C7H13NO.2C7H11NS.C7H13N.C7H14.C6H7NO.C6H9NS.C6H7N.C6H12O.2C6H8S.C6H12.C5H8N2.C5H9NO.C5H10O.C5H6O.C4H4ClNS.C2H6O2S.C2H6O/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-8-6-5-7-11(8)9(12)13-10(2,3)4;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-4-3-5-9-10-6-8(2)11(7)9;1-7-5-10(6-7)8(11)12-9(2,3)4;1-6-5-11-4-3-7(6)8(2,9)10;1-7-6-9-8-4-2-3-5-10(7)8;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(2)6-4-7;1-6-4-8(5-6)7(2)9-3;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5-6-3-8(2)4-7(5)6;1-7-5-3-2-4-6-7;1-7-5-3-2-4-6(7)8;1-4-5(2)8-6(3)7-4;2*1-6-4-2-3-5-7-6;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-3-4-6-7(5)2;1-6-4-2-3-5(6)7;2*1-5-3-2-4-6-5;1-3-2-6-4(5)7-3;1-5(2,3)4;1-3-2/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*3-6H,1-2H3;7H,5-6H2,1-4H3;3-5H,1-2H3;2-6H,1H3;2-5H,1H3;3-6H,1-2H3;6H,2,4-5H2,1,3H3;2*4-5H,1-3H3;5-7H,3-4H2,1-2H3;7H,2-6H2,1H3;2-5H,1H3;1-3H3;2-5H,1H3;6H,2-5H2,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;3-4H,1-2H3;2-4H2,1H3;5H,2-4H2,1H3;2-4H,1H3;2H,1H3;1-2H3;1-2H3/t;8-;;;;;;;;;;;;;;;;;;;;;;;;;;/m.0........................../s1.
What are the key properties of tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene?
tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene has a molecular weight of 3387.44 g/mol, XLogP of 47.61, 5 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene is sourced from PubChem (CID 161129716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).