3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane

C252H475F8N13O29 — CID 162254236

IUPAC3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C(C)(C)O.CC(C)C(C)(F)F.CC(C)C(F)(F)F.CC(C)C1CC1.CC(C)C1CCC(N2CCOCC2)CC1.CC(C)C1CCC(N2CCOCC2)CC1.CC(C)C1CCCCC1.CC(C)CCCO.CC(C)OC(C)C.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCCC1.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1cnc(C(C)(C)O)cn1.CCOC(C)C.CCOc1ccc(C(C)C)nn1.CNC(=O)C(C)C.COC(C)C.COC1CC(OC(C)C)C1.COC1CC(OC(C)C)C1.COC1CC(OC(C)C)C1.COC1CCC(OC(C)C)CC1.COC1CCC(OC(C)C)CC1.COC1CCC1C(C)C.COCCC(C)C.COCCOC(C)C.CO[C@H]1CC[C@@H]1C(C)C.Cc1ccc(C(C)C)nn1.Cc1nccc(C(C)C)n1.[2H]C([2H])([2H])OC(C)C
InChIInChI=1S/2C13H25NO.C10H16N2O.C10H14N2.2C10H20O2.3C9H11F.C9H14N2O.C9H18O.C9H18.2C8H12N2.3C8H16O2.2C8H16O.C7H14O.C6H14O2.C6H12O.4C6H14O.C6H12.C5H10F2.C5H11NO.C5H12O.C4H7F3.2C4H10O/c2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-7(2)8-5-12-9(6-11-8)10(3,4)13;1-7(2)9-5-6-10(12-11-9)8-3-4-8;2*1-8(2)12-10-6-4-9(11-3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-4-12-9-6-5-8(7(2)3)10-11-9;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-5-9-7(3)10-8;1-6(2)8-5-4-7(3)9-10-8;3*1-6(2)10-8-4-7(5-8)9-3;2*1-6(2)7-4-5-8(7)9-3;1-6(2)8-7-4-3-5-7;1-6(2)8-5-4-7-3;1-5(2)7-6-3-4-6;1-6(2)4-5-7-3;1-5(2)7-6(3)4;1-5(2)6(3,4)7;1-6(2)4-3-5-7;1-5(2)6-3-4-6;1-4(2)5(3,6)7;1-4(2)5(7)6-3;1-4-6-5(2)3;1-3(2)4(5,6)7;2*1-4(2)5-3/h2*11-13H,3-10H2,1-2H3;5-7,13H,1-4H3;5-8H,3-4H2,1-2H3;2*8-10H,4-7H2,1-3H3;3*3-7H,1-2H3;5-7H,4H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;2*4-6H,1-3H3;3*6-8H,4-5H2,1-3H3;2*6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5-6H,1-4H3;5,7H,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;4H,1-3H3,(H,6,7);5H,4H2,1-3H3;3H,1-2H3;2*4H,1-3H3/t;;;;;;;;;;;;;;;;;7-,8+;;;;;;;;;;;;;;;/m.................1.............../s1/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3D3;
InChIKeyZYJPSCVOCQRKEC-DSVUZLEOSA-N
MW4306.64 g/mol
LogP65.02
Rot. Bonds63

About 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane

3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane (PubChem CID 162254236) has the molecular formula C252H475F8N13O29 and a molecular weight of 4306.64 g/mol. Its IUPAC name is 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane
PubChem CID162254236
Molecular FormulaC252H475F8N13O29
Molecular Weight4306.64 g/mol
Exact Mass4303.62
IUPAC Name3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C(C)(C)O.CC(C)C(C)(F)F.CC(C)C(F)(F)F.CC(C)C1CC1.CC(C)C1CCC(N2CCOCC2)CC1.CC(C)C1CCC(N2CCOCC2)CC1.CC(C)C1CCCCC1.CC(C)CCCO.CC(C)OC(C)C.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCCC1.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1cnc(C(C)(C)O)cn1.CCOC(C)C.CCOc1ccc(C(C)C)nn1.CNC(=O)C(C)C.COC(C)C.COC1CC(OC(C)C)C1.COC1CC(OC(C)C)C1.COC1CC(OC(C)C)C1.COC1CCC(OC(C)C)CC1.COC1CCC(OC(C)C)CC1.COC1CCC1C(C)C.COCCC(C)C.COCCOC(C)C.CO[C@H]1CC[C@@H]1C(C)C.Cc1ccc(C(C)C)nn1.Cc1nccc(C(C)C)n1.[2H]C([2H])([2H])OC(C)C
InChIInChI=1S/2C13H25NO.C10H16N2O.C10H14N2.2C10H20O2.3C9H11F.C9H14N2O.C9H18O.C9H18.2C8H12N2.3C8H16O2.2C8H16O.C7H14O.C6H14O2.C6H12O.4C6H14O.C6H12.C5H10F2.C5H11NO.C5H12O.C4H7F3.2C4H10O/c2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-7(2)8-5-12-9(6-11-8)10(3,4)13;1-7(2)9-5-6-10(12-11-9)8-3-4-8;2*1-8(2)12-10-6-4-9(11-3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-4-12-9-6-5-8(7(2)3)10-11-9;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-5-9-7(3)10-8;1-6(2)8-5-4-7(3)9-10-8;3*1-6(2)10-8-4-7(5-8)9-3;2*1-6(2)7-4-5-8(7)9-3;1-6(2)8-7-4-3-5-7;1-6(2)8-5-4-7-3;1-5(2)7-6-3-4-6;1-6(2)4-5-7-3;1-5(2)7-6(3)4;1-5(2)6(3,4)7;1-6(2)4-3-5-7;1-5(2)6-3-4-6;1-4(2)5(3,6)7;1-4(2)5(7)6-3;1-4-6-5(2)3;1-3(2)4(5,6)7;2*1-4(2)5-3/h2*11-13H,3-10H2,1-2H3;5-7,13H,1-4H3;5-8H,3-4H2,1-2H3;2*8-10H,4-7H2,1-3H3;3*3-7H,1-2H3;5-7H,4H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;2*4-6H,1-3H3;3*6-8H,4-5H2,1-3H3;2*6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5-6H,1-4H3;5,7H,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;4H,1-3H3,(H,6,7);5H,4H2,1-3H3;3H,1-2H3;2*4H,1-3H3/t;;;;;;;;;;;;;;;;;7-,8+;;;;;;;;;;;;;;;/m.................1.............../s1/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3D3;
InChIKeyZYJPSCVOCQRKEC-DSVUZLEOSA-N
XLogP65.02
TPSA455.92 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds63
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004306.64
LogP ≤ 565.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Analyze 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane (CID 162254236) is 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane is CC(C)C(C)(C)O.CC(C)C(C)(F)F.CC(C)C(F)(F)F.CC(C)C1CC1.CC(C)C1CCC(N2CCOCC2)CC1.CC(C)C1CCC(N2CCOCC2)CC1.CC(C)C1CCCCC1.CC(C)CCCO.CC(C)OC(C)C.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCCC1.CC(C)c1ccc(C2CC2)nn1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1cnc(C(C)(C)O)cn1.CCOC(C)C.CCOc1ccc(C(C)C)nn1.CNC(=O)C(C)C.COC(C)C.COC1CC(OC(C)C)C1.COC1CC(OC(C)C)C1.COC1CC(OC(C)C)C1.COC1CCC(OC(C)C)CC1.COC1CCC(OC(C)C)CC1.COC1CCC1C(C)C.COCCC(C)C.COCCOC(C)C.CO[C@H]1CC[C@@H]1C(C)C.Cc1ccc(C(C)C)nn1.Cc1nccc(C(C)C)n1.[2H]C([2H])([2H])OC(C)C.
What is the InChIKey of 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane?
The InChIKey is ZYJPSCVOCQRKEC-DSVUZLEOSA-N. The full InChI is InChI=1S/2C13H25NO.C10H16N2O.C10H14N2.2C10H20O2.3C9H11F.C9H14N2O.C9H18O.C9H18.2C8H12N2.3C8H16O2.2C8H16O.C7H14O.C6H14O2.C6H12O.4C6H14O.C6H12.C5H10F2.C5H11NO.C5H12O.C4H7F3.2C4H10O/c2*1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-7(2)8-5-12-9(6-11-8)10(3,4)13;1-7(2)9-5-6-10(12-11-9)8-3-4-8;2*1-8(2)12-10-6-4-9(11-3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-4-12-9-6-5-8(7(2)3)10-11-9;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-5-9-7(3)10-8;1-6(2)8-5-4-7(3)9-10-8;3*1-6(2)10-8-4-7(5-8)9-3;2*1-6(2)7-4-5-8(7)9-3;1-6(2)8-7-4-3-5-7;1-6(2)8-5-4-7-3;1-5(2)7-6-3-4-6;1-6(2)4-5-7-3;1-5(2)7-6(3)4;1-5(2)6(3,4)7;1-6(2)4-3-5-7;1-5(2)6-3-4-6;1-4(2)5(3,6)7;1-4(2)5(7)6-3;1-4-6-5(2)3;1-3(2)4(5,6)7;2*1-4(2)5-3/h2*11-13H,3-10H2,1-2H3;5-7,13H,1-4H3;5-8H,3-4H2,1-2H3;2*8-10H,4-7H2,1-3H3;3*3-7H,1-2H3;5-7H,4H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;2*4-6H,1-3H3;3*6-8H,4-5H2,1-3H3;2*6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5-6H,1-4H3;5,7H,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;4H,1-3H3,(H,6,7);5H,4H2,1-3H3;3H,1-2H3;2*4H,1-3H3/t;;;;;;;;;;;;;;;;;7-,8+;;;;;;;;;;;;;;;/m.................1.............../s1/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3D3;.
What are the key properties of 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane?
3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 4306.64 g/mol, XLogP of 65.02, 63 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-propan-2-ylpyridazine;2,2-difluoro-3-methylbutane;2,3-dimethylbutan-2-ol;N,2-dimethylpropanamide;2-ethoxypropane;3-ethoxy-6-propan-2-ylpyridazine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(2-methoxyethoxy)propane;1-methoxy-3-methylbutane;2-methoxypropane;1-methoxy-2-propan-2-ylcyclobutane;tris(1-methoxy-3-propan-2-yloxycyclobutane);bis(1-methoxy-4-propan-2-yloxycyclohexane);4-methylpentan-1-ol;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyrimidine;propan-2-ylcyclohexane;bis(4-(4-propan-2-ylcyclohexyl)morpholine);propan-2-ylcyclopropane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane;2-(5-propan-2-ylpyrazin-2-yl)propan-2-ol;trans-(1S,2R)-1-methoxy-2-propan-2-ylcyclobutane;2-(trideuteriomethoxy)propane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 162254236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).