1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole

C122H223F4N23O2 — CID 161131660

IUPAC1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
SMILESCC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cncn1.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C.Cc1conc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cn1nncc1C(C)(C)C
InChIInChI=1S/C11H17N.2C9H19N.C8H15F2N.2C8H16FN.C8H12N2.C8H14N2.2C8H12N2.C8H17NO.C8H13NO.C8H17N.C7H13N3.C6H11N3/c1-8-6-10(11(3,4)5)7-12-9(8)2;2*1-8-6-5-7-10(8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-9-6-10-5-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-6-5-10-9-7(6)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-5-8-9-10(6)4;1-6(2,3)9-5-7-4-8-9/h6-7H,1-5H3;2*8H,5-7H2,1-4H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;5H,1-4H3;4-5H,1-3H3/t;2*8-;;2*7-;;;;;;;;;/m.10.10........./s1
InChIKeyUMGQJSUTCLHJNW-JBENUBEUSA-N
MW2120.28 g/mol
LogP28.01
Rot. Bonds

About 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole

1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole (PubChem CID 161131660) has the molecular formula C122H223F4N23O2 and a molecular weight of 2120.28 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
PubChem CID161131660
Molecular FormulaC122H223F4N23O2
Molecular Weight2120.28 g/mol
Exact Mass2118.80
IUPAC Name1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
SMILESCC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cncn1.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C.Cc1conc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cn1nncc1C(C)(C)C
InChIInChI=1S/C11H17N.2C9H19N.C8H15F2N.2C8H16FN.C8H12N2.C8H14N2.2C8H12N2.C8H17NO.C8H13NO.C8H17N.C7H13N3.C6H11N3/c1-8-6-10(11(3,4)5)7-12-9(8)2;2*1-8-6-5-7-10(8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-9-6-10-5-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-6-5-10-9-7(6)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-5-8-9-10(6)4;1-6(2,3)9-5-7-4-8-9/h6-7H,1-5H3;2*8H,5-7H2,1-4H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;5H,1-4H3;4-5H,1-3H3/t;2*8-;;2*7-;;;;;;;;;/m.10.10........./s1
InChIKeyUMGQJSUTCLHJNW-JBENUBEUSA-N
XLogP28.01
TPSA227.41 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002120.28
LogP ≤ 528.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 158544530
1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
CID 158707644
4-Chloro-3-methylpyridine;2,3-dimethylfuran;1,4-dimethylimidazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole;2-methylpyrazine;3-methyl-4-(trifluoromethyl)pyridine;5-methyl-4-(trifluoromethyl)pyrimidine;1,3,5-trimethylpyrazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
CID 159529014
3-Tert-butyl-1-methylpyrrole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;5-tert-butyl-1-methyl-3-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
CID 165000668
4-Tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1-methylpyrazole;1-tert-butyl-3-(1,1-difluoroethyl)pyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-methyl-2-(trifluoromethyl)pyrrole;3-tert-butyl-1-phenylpyrazole;1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole
CID 165007747
3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 167636690
1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 157569318
4,6-Dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine;5-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrazine;2-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 158607933
Cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
CID 158635242
CID 158742168
CID 158742168
4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 158815402
CID 158834478
CID 158834478

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole (CID 161131660) is 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole is CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cncn1.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C.Cc1conc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cn1nncc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?
The InChIKey is UMGQJSUTCLHJNW-JBENUBEUSA-N. The full InChI is InChI=1S/C11H17N.2C9H19N.C8H15F2N.2C8H16FN.C8H12N2.C8H14N2.2C8H12N2.C8H17NO.C8H13NO.C8H17N.C7H13N3.C6H11N3/c1-8-6-10(11(3,4)5)7-12-9(8)2;2*1-8-6-5-7-10(8)9(2,3)4;1-7(2,3)11-5-4-8(9,10)6-11;2*1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-9-6-10-5-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-6-5-10-9-7(6)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-5-8-9-10(6)4;1-6(2,3)9-5-7-4-8-9/h6-7H,1-5H3;2*8H,5-7H2,1-4H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;5H,1-4H3;4-5H,1-3H3/t;2*8-;;2*7-;;;;;;;;;/m.10.10........./s1.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole?
1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole has a molecular weight of 2120.28 g/mol, XLogP of 28.01, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 161131660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).