3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine

C196H312ClF10N22O3+ — CID 159985964

IUPAC3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc[n+]1O.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CN1C2CCC1CC(C(C)(C)C)C2.COc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1cnc(C)c(C(C)(C)C)n1
InChIInChI=1S/C12H23N.C12H22.C10H12F3N.C10H16N2.C10H15NO.C10H15N.C9H12ClN.C9H17F2N.C9H12FN.C9H18FN.3C9H12FN.C9H14NO.C9H19N.2C9H13N.C9H18O.2C8H12N2.C8H13N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7-6-11-8(2)9(12-7)10(3,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10(8)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7/h9-11H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;4-6H,1-3H3;6H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;3*4-6H,1-3H3;4-7,11H,1-3H3;8,10H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3/q;;;;;;;;;;;;;+1;;;;;;;
InChIKeySNAHWZMXGKNCBQ-UHFFFAOYSA-N
MW3250.24 g/mol
LogP52.17
Rot. Bonds1

About 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine

3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 159985964) has the molecular formula C196H312ClF10N22O3+ and a molecular weight of 3250.24 g/mol. Its IUPAC name is 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
PubChem CID159985964
Molecular FormulaC196H312ClF10N22O3+
Molecular Weight3250.24 g/mol
Exact Mass3247.45
IUPAC Name3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc[n+]1O.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CN1C2CCC1CC(C(C)(C)C)C2.COc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1cnc(C)c(C(C)(C)C)n1
InChIInChI=1S/C12H23N.C12H22.C10H12F3N.C10H16N2.C10H15NO.C10H15N.C9H12ClN.C9H17F2N.C9H12FN.C9H18FN.3C9H12FN.C9H14NO.C9H19N.2C9H13N.C9H18O.2C8H12N2.C8H13N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7-6-11-8(2)9(12-7)10(3,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10(8)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7/h9-11H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;4-6H,1-3H3;6H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;3*4-6H,1-3H3;4-7,11H,1-3H3;8,10H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3/q;;;;;;;;;;;;;+1;;;;;;;
InChIKeySNAHWZMXGKNCBQ-UHFFFAOYSA-N
XLogP52.17
TPSA282.92 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds1
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003250.24
LogP ≤ 552.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butylbicyclo[3.2.1]octane;tert-butyl 4-tert-butylpiperidine-1-carboxylate;2-tert-butyl-6-chloropyridine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;bis(5-tert-butyl-2-methoxypyridine);3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 157110979
3-tert-butyl-3-azabicyclo[3.2.1]octane;tert-butyl 4-tert-butylpiperidine-1-carboxylate;2-tert-butyl-6-chloropyridine;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 158801840
1-Chloro-2,4-difluoro-3-methyl-5-propan-2-ylbenzene;2-chloro-3-fluoro-6-propan-2-ylpyridine;4-chloro-2-methyl-6-propan-2-ylpyridine;6-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-4-methyl-6-propan-2-yl-1,3,5-triazine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;2-ethoxy-6-propan-2-ylpyridine;methane;2-methyl-6-propan-2-ylpyrazine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158845768
3-tert-butylbicyclo[3.2.1]octane;tert-butyl 4-tert-butylpiperidine-1-carboxylate;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 161106729
3-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 161460834

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine (CID 159985964) is 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)C1=CN=CC1.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)CC1.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc[n+]1O.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CN1C2CCC1CC(C(C)(C)C)C2.COc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1cnc(C)c(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine?
The InChIKey is SNAHWZMXGKNCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C12H22.C10H12F3N.C10H16N2.C10H15NO.C10H15N.C9H12ClN.C9H17F2N.C9H12FN.C9H18FN.3C9H12FN.C9H14NO.C9H19N.2C9H13N.C9H18O.2C8H12N2.C8H13N/c1-12(2,3)9-7-10-5-6-11(8-9)13(10)4;1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7-6-11-8(2)9(12-7)10(3,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7;1-8(2,3)12-6-4-5-9(10,11)7-12;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10(8)11;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7/h9-11H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;4-6H,1-3H3;6H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;3*4-6H,1-3H3;4-7,11H,1-3H3;8,10H,4-7H2,1-3H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*4-6H,1-3H3;5-6H,4H2,1-3H3/q;;;;;;;;;;;;;+1;;;;;;;.
What are the key properties of 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine?
3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 3250.24 g/mol, XLogP of 52.17, 1 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-6-chloropyridine;1-tert-butyl-3,3-difluoropiperidine;3-tert-butyl-2,5-dimethylpyrazine;1-tert-butyl-4-fluoropiperidine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-6-methylpyridine;4-tert-butyloxane;4-tert-butylpiperidine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159985964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).