N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane

C207H345F5N30O5S — CID 161387770

IUPACN-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane
SMILESC.CC(C)(C)C1CCC1.CC(C)(C)CN1CCC(F)(F)C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC[C@@H](OC(F)(F)F)C1.CC(C)(C)Nc1ccccc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ncc(C2CC2)cn1.CC(C)(C)c1ncccn1.CC(C)(C)n1ccc(C2CC2)n1.CC(C)C(C)(C)C.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccn(C(C)(C)C)n1.CN(c1ccccc1)C(C)(C)C.COCCn1cc(C(C)(C)C)cn1.COc1cnc(C(C)(C)C)nc1.COc1cnnc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)nn1.Cc1cccc(C(C)(C)C)n1.Cc1csc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncn2c1CCC2
InChIInChI=1S/C13H21N.C12H19N.C11H16N2.C11H17N.C10H18N2O.C10H16N2.C10H18N2.C10H19N.2C10H15N.C9H16F3NO.C9H17F2N.2C9H14N2O.C9H14N2.2C8H12N2.C8H13NO.C8H13NS.C8H16.C7H10N2.C7H16.CH4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-11(2,3)10-12-6-9(7-13-10)8-4-5-8;1-11(2,3)12(4)10-8-6-5-7-9-10;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-6-7-12(11-9)10(3,4)5;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)13-5-4-7(6-13)14-9(10,11)12;1-8(2,3)6-12-5-4-9(10,11)7-12;1-9(2,3)8-10-5-7(12-4)6-11-8;1-9(2,3)8-5-7(12-4)6-10-11-8;1-7-5-6-8(11-10-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6-9-5-7(10-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)7-5-4-6-7;1-6-7-3-2-4-9(7)5-8-6;1-6(2)7(3,4)5;/h7-9H,1-6H3;6-9H,1-5H3;6-8H,4-5H2,1-3H3;5-9H,1-4H3;7-8H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-8H2,1-3H3;5-7H,1-4H3;4-8,11H,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3;2*5H,1-4H3;7H,4-6H2,1-3H3;5H,2-4H2,1H3;6H,1-5H3;1H4/t;;;;;;;;;;7-;;;;;;;;;;;;/m..........1............/s1
InChIKeyVSOSOUXZZCKQHF-QAXXVOGLSA-N
MW3461.30 g/mol
LogP54.00
Rot. Bonds13

About N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane

N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane (PubChem CID 161387770) has the molecular formula C207H345F5N30O5S and a molecular weight of 3461.30 g/mol. Its IUPAC name is N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane.

Molecular Properties

Compound NameN-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane
PubChem CID161387770
Molecular FormulaC207H345F5N30O5S
Molecular Weight3461.30 g/mol
Exact Mass3458.73
IUPAC NameN-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane
SMILESC.CC(C)(C)C1CCC1.CC(C)(C)CN1CCC(F)(F)C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC[C@@H](OC(F)(F)F)C1.CC(C)(C)Nc1ccccc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ncc(C2CC2)cn1.CC(C)(C)c1ncccn1.CC(C)(C)n1ccc(C2CC2)n1.CC(C)C(C)(C)C.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccn(C(C)(C)C)n1.CN(c1ccccc1)C(C)(C)C.COCCn1cc(C(C)(C)C)cn1.COc1cnc(C(C)(C)C)nc1.COc1cnnc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)nn1.Cc1cccc(C(C)(C)C)n1.Cc1csc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncn2c1CCC2
InChIInChI=1S/C13H21N.C12H19N.C11H16N2.C11H17N.C10H18N2O.C10H16N2.C10H18N2.C10H19N.2C10H15N.C9H16F3NO.C9H17F2N.2C9H14N2O.C9H14N2.2C8H12N2.C8H13NO.C8H13NS.C8H16.C7H10N2.C7H16.CH4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-11(2,3)10-12-6-9(7-13-10)8-4-5-8;1-11(2,3)12(4)10-8-6-5-7-9-10;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-6-7-12(11-9)10(3,4)5;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)13-5-4-7(6-13)14-9(10,11)12;1-8(2,3)6-12-5-4-9(10,11)7-12;1-9(2,3)8-10-5-7(12-4)6-11-8;1-9(2,3)8-5-7(12-4)6-10-11-8;1-7-5-6-8(11-10-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6-9-5-7(10-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)7-5-4-6-7;1-6-7-3-2-4-9(7)5-8-6;1-6(2)7(3,4)5;/h7-9H,1-6H3;6-9H,1-5H3;6-8H,4-5H2,1-3H3;5-9H,1-4H3;7-8H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-8H2,1-3H3;5-7H,1-4H3;4-8,11H,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3;2*5H,1-4H3;7H,4-6H2,1-3H3;5H,2-4H2,1H3;6H,1-5H3;1H4/t;;;;;;;;;;7-;;;;;;;;;;;;/m..........1............/s1
InChIKeyVSOSOUXZZCKQHF-QAXXVOGLSA-N
XLogP54.00
TPSA365.46 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds13
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003461.30
LogP ≤ 554.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane?
The IUPAC name of N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane (CID 161387770) is N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane.
What is the SMILES notation for N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane?
The canonical SMILES for N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane is C.CC(C)(C)C1CCC1.CC(C)(C)CN1CCC(F)(F)C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC[C@@H](OC(F)(F)F)C1.CC(C)(C)Nc1ccccc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ncc(C2CC2)cn1.CC(C)(C)c1ncccn1.CC(C)(C)n1ccc(C2CC2)n1.CC(C)C(C)(C)C.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccn(C(C)(C)C)n1.CN(c1ccccc1)C(C)(C)C.COCCn1cc(C(C)(C)C)cn1.COc1cnc(C(C)(C)C)nc1.COc1cnnc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)nn1.Cc1cccc(C(C)(C)C)n1.Cc1csc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)o1.Cc1ncn2c1CCC2.
What is the InChIKey of N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane?
The InChIKey is VSOSOUXZZCKQHF-QAXXVOGLSA-N. The full InChI is InChI=1S/C13H21N.C12H19N.C11H16N2.C11H17N.C10H18N2O.C10H16N2.C10H18N2.C10H19N.2C10H15N.C9H16F3NO.C9H17F2N.2C9H14N2O.C9H14N2.2C8H12N2.C8H13NO.C8H13NS.C8H16.C7H10N2.C7H16.CH4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-11(2,3)10-12-6-9(7-13-10)8-4-5-8;1-11(2,3)12(4)10-8-6-5-7-9-10;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)12-7-6-9(11-12)8-4-5-8;1-8(2)9-6-7-12(11-9)10(3,4)5;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)13-5-4-7(6-13)14-9(10,11)12;1-8(2,3)6-12-5-4-9(10,11)7-12;1-9(2,3)8-10-5-7(12-4)6-11-8;1-9(2,3)8-5-7(12-4)6-10-11-8;1-7-5-6-8(11-10-7)9(2,3)4;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6-9-5-7(10-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)7-5-4-6-7;1-6-7-3-2-4-9(7)5-8-6;1-6(2)7(3,4)5;/h7-9H,1-6H3;6-9H,1-5H3;6-8H,4-5H2,1-3H3;5-9H,1-4H3;7-8H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-8H2,1-3H3;5-7H,1-4H3;4-8,11H,1-3H3;7H,4-6H2,1-3H3;4-7H2,1-3H3;2*5-6H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3;2*5H,1-4H3;7H,4-6H2,1-3H3;5H,2-4H2,1H3;6H,1-5H3;1H4/t;;;;;;;;;;7-;;;;;;;;;;;;/m..........1............/s1.
What are the key properties of N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane?
N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane has a molecular weight of 3461.30 g/mol, XLogP of 54.00, 13 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane is sourced from PubChem (CID 161387770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).