3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole

C212H352FN17O6S — CID 158368529

IUPAC3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)C1CN(C)CC1CCc1ccccc1.CC(C)CC1(N(C)C)CCCCC1.CC(C)CCF.CC(C)CCN1CCOCC1.CC(C)Cc1cn(C)cn1.CC(C)[C@@H]1CN(C)CC1c1cccnc1.CN1CC(c2ccccc2)C(C(C)(C)C)C12COC2.COCCC(C)C.Cc1ccccc1C1C(C(C)(C)C)CN(C)C1(C)C.Cc1ccccc1C1C(C)N(C)CC1C(C)(C)C.Cc1ccccc1C1CN(C)C(C)(C)C1C(C)(C)C.Cc1ccccc1C1CN(C)C(C)C1C(C)(C)C.Cc1ccsc1C1CN(C)C[C@H]1C(C)C.Cc1coc(C)c1C(C)C(C)C.Cc1conc1CC(C)C.Cc1nn(C)c(C)c1CC(C)C.Cc1onc(-c2ccccc2)c1CC(C)C
InChIInChI=1S/2C18H29N.C17H25NO.2C17H27N.C16H25N.C14H17NO.C13H20N2.C13H21NS.C12H25N.C11H18O.C10H18N2.C9H19NO.C8H14N2.C8H13NO.C6H14O.C5H11F/c1-13-10-8-9-11-14(13)16-15(17(2,3)4)12-19(7)18(16,5)6;1-13-10-8-9-11-14(13)15-12-19(7)18(5,6)16(15)17(2,3)4;1-16(2,3)15-14(13-8-6-5-7-9-13)10-18(4)17(15)11-19-12-17;1-12-9-7-8-10-14(12)16-13(2)18(6)11-15(16)17(3,4)5;1-12-9-7-8-10-14(12)15-11-18(6)13(2)16(15)17(3,4)5;1-13(2)16-12-17(3)11-15(16)10-9-14-7-5-4-6-8-14;1-10(2)9-13-11(3)16-15-14(13)12-7-5-4-6-8-12;1-10(2)12-8-15(3)9-13(12)11-5-4-6-14-7-11;1-9(2)11-7-14(4)8-12(11)13-10(3)5-6-15-13;1-11(2)10-12(13(3)4)8-6-5-7-9-12;1-7(2)9(4)11-8(3)6-12-10(11)5;1-7(2)6-10-8(3)11-12(5)9(10)4;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)4-5-7-3;1-5(2)3-4-6/h2*8-11,15-16H,12H2,1-7H3;5-9,14-15H,10-12H2,1-4H3;2*7-10,13,15-16H,11H2,1-6H3;4-8,13,15-16H,9-12H2,1-3H3;4-8,10H,9H2,1-3H3;4-7,10,12-13H,8-9H2,1-3H3;5-6,9,11-12H,7-8H2,1-4H3;11H,5-10H2,1-4H3;6-7,9H,1-5H3;7H,6H2,1-5H3;9H,3-8H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3/t;;;;;;;12-,13?;11-,12?;;;;;;;;/m.......00......../s1
InChIKeyGUIAWLWHVSCFSE-NTFBKVQESA-N
MW3286.33 g/mol
LogP51.30
Rot. Bonds35

About 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole

3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole (PubChem CID 158368529) has the molecular formula C212H352FN17O6S and a molecular weight of 3286.33 g/mol. Its IUPAC name is 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
PubChem CID158368529
Molecular FormulaC212H352FN17O6S
Molecular Weight3286.33 g/mol
Exact Mass3283.75
IUPAC Name3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)C1CN(C)CC1CCc1ccccc1.CC(C)CC1(N(C)C)CCCCC1.CC(C)CCF.CC(C)CCN1CCOCC1.CC(C)Cc1cn(C)cn1.CC(C)[C@@H]1CN(C)CC1c1cccnc1.CN1CC(c2ccccc2)C(C(C)(C)C)C12COC2.COCCC(C)C.Cc1ccccc1C1C(C(C)(C)C)CN(C)C1(C)C.Cc1ccccc1C1C(C)N(C)CC1C(C)(C)C.Cc1ccccc1C1CN(C)C(C)(C)C1C(C)(C)C.Cc1ccccc1C1CN(C)C(C)C1C(C)(C)C.Cc1ccsc1C1CN(C)C[C@H]1C(C)C.Cc1coc(C)c1C(C)C(C)C.Cc1conc1CC(C)C.Cc1nn(C)c(C)c1CC(C)C.Cc1onc(-c2ccccc2)c1CC(C)C
InChIInChI=1S/2C18H29N.C17H25NO.2C17H27N.C16H25N.C14H17NO.C13H20N2.C13H21NS.C12H25N.C11H18O.C10H18N2.C9H19NO.C8H14N2.C8H13NO.C6H14O.C5H11F/c1-13-10-8-9-11-14(13)16-15(17(2,3)4)12-19(7)18(16,5)6;1-13-10-8-9-11-14(13)15-12-19(7)18(5,6)16(15)17(2,3)4;1-16(2,3)15-14(13-8-6-5-7-9-13)10-18(4)17(15)11-19-12-17;1-12-9-7-8-10-14(12)16-13(2)18(6)11-15(16)17(3,4)5;1-12-9-7-8-10-14(12)15-11-18(6)13(2)16(15)17(3,4)5;1-13(2)16-12-17(3)11-15(16)10-9-14-7-5-4-6-8-14;1-10(2)9-13-11(3)16-15-14(13)12-7-5-4-6-8-12;1-10(2)12-8-15(3)9-13(12)11-5-4-6-14-7-11;1-9(2)11-7-14(4)8-12(11)13-10(3)5-6-15-13;1-11(2)10-12(13(3)4)8-6-5-7-9-12;1-7(2)9(4)11-8(3)6-12-10(11)5;1-7(2)6-10-8(3)11-12(5)9(10)4;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)4-5-7-3;1-5(2)3-4-6/h2*8-11,15-16H,12H2,1-7H3;5-9,14-15H,10-12H2,1-4H3;2*7-10,13,15-16H,11H2,1-6H3;4-8,13,15-16H,9-12H2,1-3H3;4-8,10H,9H2,1-3H3;4-7,10,12-13H,8-9H2,1-3H3;5-6,9,11-12H,7-8H2,1-4H3;11H,5-10H2,1-4H3;6-7,9H,1-5H3;7H,6H2,1-5H3;9H,3-8H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3/t;;;;;;;12-,13?;11-,12?;;;;;;;;/m.......00......../s1
InChIKeyGUIAWLWHVSCFSE-NTFBKVQESA-N
XLogP51.30
TPSA173.82 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003286.33
LogP ≤ 551.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The IUPAC name of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole (CID 158368529) is 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole is CC(C)C1CN(C)CC1CCc1ccccc1.CC(C)CC1(N(C)C)CCCCC1.CC(C)CCF.CC(C)CCN1CCOCC1.CC(C)Cc1cn(C)cn1.CC(C)[C@@H]1CN(C)CC1c1cccnc1.CN1CC(c2ccccc2)C(C(C)(C)C)C12COC2.COCCC(C)C.Cc1ccccc1C1C(C(C)(C)C)CN(C)C1(C)C.Cc1ccccc1C1C(C)N(C)CC1C(C)(C)C.Cc1ccccc1C1CN(C)C(C)(C)C1C(C)(C)C.Cc1ccccc1C1CN(C)C(C)C1C(C)(C)C.Cc1ccsc1C1CN(C)C[C@H]1C(C)C.Cc1coc(C)c1C(C)C(C)C.Cc1conc1CC(C)C.Cc1nn(C)c(C)c1CC(C)C.Cc1onc(-c2ccccc2)c1CC(C)C.
What is the InChIKey of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The InChIKey is GUIAWLWHVSCFSE-NTFBKVQESA-N. The full InChI is InChI=1S/2C18H29N.C17H25NO.2C17H27N.C16H25N.C14H17NO.C13H20N2.C13H21NS.C12H25N.C11H18O.C10H18N2.C9H19NO.C8H14N2.C8H13NO.C6H14O.C5H11F/c1-13-10-8-9-11-14(13)16-15(17(2,3)4)12-19(7)18(16,5)6;1-13-10-8-9-11-14(13)15-12-19(7)18(5,6)16(15)17(2,3)4;1-16(2,3)15-14(13-8-6-5-7-9-13)10-18(4)17(15)11-19-12-17;1-12-9-7-8-10-14(12)16-13(2)18(6)11-15(16)17(3,4)5;1-12-9-7-8-10-14(12)15-11-18(6)13(2)16(15)17(3,4)5;1-13(2)16-12-17(3)11-15(16)10-9-14-7-5-4-6-8-14;1-10(2)9-13-11(3)16-15-14(13)12-7-5-4-6-8-12;1-10(2)12-8-15(3)9-13(12)11-5-4-6-14-7-11;1-9(2)11-7-14(4)8-12(11)13-10(3)5-6-15-13;1-11(2)10-12(13(3)4)8-6-5-7-9-12;1-7(2)9(4)11-8(3)6-12-10(11)5;1-7(2)6-10-8(3)11-12(5)9(10)4;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)4-5-7-3;1-5(2)3-4-6/h2*8-11,15-16H,12H2,1-7H3;5-9,14-15H,10-12H2,1-4H3;2*7-10,13,15-16H,11H2,1-6H3;4-8,13,15-16H,9-12H2,1-3H3;4-8,10H,9H2,1-3H3;4-7,10,12-13H,8-9H2,1-3H3;5-6,9,11-12H,7-8H2,1-4H3;11H,5-10H2,1-4H3;6-7,9H,1-5H3;7H,6H2,1-5H3;9H,3-8H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3/t;;;;;;;12-,13?;11-,12?;;;;;;;;/m.......00......../s1.
What are the key properties of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole has a molecular weight of 3286.33 g/mol, XLogP of 51.30, 35 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 158368529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).