2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile

C206H295F8N9O5 — CID 160948281

IUPAC2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
SMILESCC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)C=Cc1ccccc1.CC(C)CCC1CC1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1F.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C2CC2)c1.CC(C)c1ccnc(F)c1.CCc1cc(C(C)C)ccn1.CCc1cc(C(C)C)ccn1.COc1cc(C(C)C)c(F)cn1.COc1ccc(CC(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1
InChIInChI=1S/C11H13F3.C11H15F.C11H15N.C11H16O.3C11H16.C11H14.C10H13F.3C10H15N.C10H14O.C9H12FNO.C9H11F.C9H10N2.C9H13N.C8H10FN.C8H16O.C8H14O.C8H16/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)10-5-6-12-11(7-10)9-3-4-9;1-9(2)8-10-4-6-11(12-3)7-5-10;1-8(2)11-6-5-9(3)10(4)7-11;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)10-5-8(3)11-9(4)6-10;2*1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-4-9(12-3)11-5-8(7)10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-10-8(9)5-7;2*1-7(2)8-3-5-9-6-4-8;1-7(2)3-4-8-5-6-8/h3-6,8H,7H2,1-2H3;5-8H,4H2,1-3H3;5-9H,3-4H2,1-2H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-10H,1-2H3;4-7H,1-3H3;5-7H,1-4H3;2*5-8H,4H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeySVKIDPNJNCONNO-UHFFFAOYSA-N
MW3129.67 g/mol
LogP59.94
Rot. Bonds35

About 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile

2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile (PubChem CID 160948281) has the molecular formula C206H295F8N9O5 and a molecular weight of 3129.67 g/mol. Its IUPAC name is 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
PubChem CID160948281
Molecular FormulaC206H295F8N9O5
Molecular Weight3129.67 g/mol
Exact Mass3127.30
IUPAC Name2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
SMILESCC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)C=Cc1ccccc1.CC(C)CCC1CC1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1F.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C2CC2)c1.CC(C)c1ccnc(F)c1.CCc1cc(C(C)C)ccn1.CCc1cc(C(C)C)ccn1.COc1cc(C(C)C)c(F)cn1.COc1ccc(CC(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1
InChIInChI=1S/C11H13F3.C11H15F.C11H15N.C11H16O.3C11H16.C11H14.C10H13F.3C10H15N.C10H14O.C9H12FNO.C9H11F.C9H10N2.C9H13N.C8H10FN.C8H16O.C8H14O.C8H16/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)10-5-6-12-11(7-10)9-3-4-9;1-9(2)8-10-4-6-11(12-3)7-5-10;1-8(2)11-6-5-9(3)10(4)7-11;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)10-5-8(3)11-9(4)6-10;2*1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-4-9(12-3)11-5-8(7)10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-10-8(9)5-7;2*1-7(2)8-3-5-9-6-4-8;1-7(2)3-4-8-5-6-8/h3-6,8H,7H2,1-2H3;5-8H,4H2,1-3H3;5-9H,3-4H2,1-2H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-10H,1-2H3;4-7H,1-3H3;5-7H,1-4H3;2*5-8H,4H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeySVKIDPNJNCONNO-UHFFFAOYSA-N
XLogP59.94
TPSA173.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003129.67
LogP ≤ 559.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile with MolForge

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Related Compounds

4-[2-(4-Methylphenyl)-1-pyridin-2-ylethoxy]-2-(trifluoromethyl)benzonitrile;4-(1-pyridin-2-ylbutoxy)-2-(trifluoromethyl)benzonitrile
CID 143406715
4-[3-[[1-[[3-[4-[[3-(4-Cyanophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-1-methylpiperidin-4-yl]-5-methoxyphenyl]methyl]-4-pyridin-4-ylpiperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 143563770
2-[Cyclopropyl(methoxy)methyl]-4-ethenyl-1-(2-fluoro-5-methoxyphenyl)benzene;4-[2-[cyclopropyl(methoxy)methyl]-4-ethenylphenyl]-5-fluoro-2-methoxypyridine;ethane;2-[4-ethenyl-2-(2,2,2-trifluoro-1-methoxyethyl)phenyl]-1-fluoro-4-methoxybenzene
CID 144688881
(3E,7E)-3,7-bis[cyano-(3,5-dicyanophenyl)methylidene]-2,6-dipyridin-2-yl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile
CID 155139741
tert-butylbenzene;2-tert-butylbenzonitrile;3-tert-butyl-2-chloropyridine;1-tert-butyl-2-(1,1-difluoroethoxy)benzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-ethynylbenzene;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;3-tert-butylpyridine;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157160883
2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;propan-2-ylcyclohexane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile
CID 157257878
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine;3-[3-[3-[3-[4-[2-[4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]ethoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 157280274
Cumene;1-(difluoromethyl)-2-methylidene-5-propan-2-ylpyridine;ethane;3-methoxy-5-propan-2-ylpyridazine;2-methoxy-4-propan-2-ylpyridine;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;propan-2-ylcyclohexane;propan-2-ylcyclopropane;bis(3-propan-2-ylpyridine);5-propan-2-yl-3-(trifluoromethyl)pyridazine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157431549
3-Tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157586124
2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-4,8-bis(4-cyanophenyl)-2,6-difluoro-7-isocyano-s-indacen-1-ylidene]propanedinitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-bis[3-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]propanedinitrile;2-[3-cyano-5-(diisocyanomethylidene)-2,6-difluoro-7-isocyano-4,8-dipyridin-2-yl-s-indacen-1-ylidene]propanedinitrile
CID 157770375
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157801975
2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
CID 157803903

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile (CID 160948281) is 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile is CC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)C=Cc1ccccc1.CC(C)CCC1CC1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1F.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C2CC2)c1.CC(C)c1ccnc(F)c1.CCc1cc(C(C)C)ccn1.CCc1cc(C(C)C)ccn1.COc1cc(C(C)C)c(F)cn1.COc1ccc(CC(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(CC(C)C)c1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.
What is the InChIKey of 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is SVKIDPNJNCONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3.C11H15F.C11H15N.C11H16O.3C11H16.C11H14.C10H13F.3C10H15N.C10H14O.C9H12FNO.C9H11F.C9H10N2.C9H13N.C8H10FN.C8H16O.C8H14O.C8H16/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)4-10-5-9(3)6-11(12)7-10;1-8(2)10-5-6-12-11(7-10)9-3-4-9;1-9(2)8-10-4-6-11(12-3)7-5-10;1-8(2)11-6-5-9(3)10(4)7-11;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)10-5-8(3)11-9(4)6-10;2*1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-4-9(12-3)11-5-8(7)10;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-10-8(9)5-7;2*1-7(2)8-3-5-9-6-4-8;1-7(2)3-4-8-5-6-8/h3-6,8H,7H2,1-2H3;5-8H,4H2,1-3H3;5-9H,3-4H2,1-2H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-10H,1-2H3;4-7H,1-3H3;5-7H,1-4H3;2*5-8H,4H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile?
2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 3129.67 g/mol, XLogP of 59.94, 35 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2,6-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methoxy-4-propan-2-ylpyridine;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-(2-methylpropyl)benzene;1-methoxy-3-propan-2-ylbenzene;3-methylbut-1-enylbenzene;3-methylbutylcyclopropane;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methyl-4-propan-2-ylpyridine;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 160948281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).