N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine

C286H420F9N37O7S4 — CID 159320113

IUPACN-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)NCc1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccnn1C.CC(C)c1ccnn1C(C)C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnn(C)c1.CC(C)c1ncccc1C(F)(F)F.CCCn1nccc1C(C)C.CCn1nccc1C(C)C.COCc1nn(C)c(C)c1C(C)C.COc1ccccc1C(C)C.COc1ccncc1C(C)C.Cc1c(C(C)C)c(CO)nn1C.Cc1cc2nccn2cc1C(C)C.Cc1cc2nnnn2cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1ccsc1C(C)C.Cc1cnccc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1noc(C)c1C(C)C.Cc1sccc1C(C)C
InChIInChI=1S/C12H13N.C11H14N2.C10H18N2O.2C10H15N.C10H14O.C10H14.3C9H10F3N.C9H12N4.C9H16N2O.2C9H16N2.C9H13NO.3C9H13N.2C8H14N2.C8H13NO.C8H13N.3C8H11N.2C8H12S.2C7H12N2.2C7H10O.2C7H10S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)10-7-13-5-4-12-11(13)6-9(10)3;1-7(2)10-8(3)12(4)11-9(10)6-13-5;1-7(2)10-8(3)5-6-11-9(10)4;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)8-5-13-9(4-7(8)3)10-11-12-13;1-6(2)9-7(3)11(4)10-8(9)5-12;1-7(2)9-5-6-10-11(9)8(3)4;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)8-6-10-5-4-9(8)11-3;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)8-6(3)9-10-7(8)4;1-4-10-8(7(2)3)5-6-9-10;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-4-5-9-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-9H,1-2H3;4-8H,1-3H3;7H,6H2,1-5H3;5-7H,1-4H3;3-7,9,11H,8H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3*3-6H,1-2H3;4-6H,1-3H3;6,12H,5H2,1-4H3;5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;3*4-7H,1-3H3;5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;5H,1-4H3;4-7H,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;4*3-6H,1-2H3
InChIKeyLDQPRSCUTDLVKC-UHFFFAOYSA-N
MW4788.01 g/mol
LogP81.75
Rot. Bonds44

About N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine

N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 159320113) has the molecular formula C286H420F9N37O7S4 and a molecular weight of 4788.01 g/mol. Its IUPAC name is N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound NameN-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID159320113
Molecular FormulaC286H420F9N37O7S4
Molecular Weight4788.01 g/mol
Exact Mass4784.24
IUPAC NameN-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)NCc1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccnn1C.CC(C)c1ccnn1C(C)C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnn(C)c1.CC(C)c1ncccc1C(F)(F)F.CCCn1nccc1C(C)C.CCn1nccc1C(C)C.COCc1nn(C)c(C)c1C(C)C.COc1ccccc1C(C)C.COc1ccncc1C(C)C.Cc1c(C(C)C)c(CO)nn1C.Cc1cc2nccn2cc1C(C)C.Cc1cc2nnnn2cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1ccsc1C(C)C.Cc1cnccc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1noc(C)c1C(C)C.Cc1sccc1C(C)C
InChIInChI=1S/C12H13N.C11H14N2.C10H18N2O.2C10H15N.C10H14O.C10H14.3C9H10F3N.C9H12N4.C9H16N2O.2C9H16N2.C9H13NO.3C9H13N.2C8H14N2.C8H13NO.C8H13N.3C8H11N.2C8H12S.2C7H12N2.2C7H10O.2C7H10S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)10-7-13-5-4-12-11(13)6-9(10)3;1-7(2)10-8(3)12(4)11-9(10)6-13-5;1-7(2)10-8(3)5-6-11-9(10)4;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)8-5-13-9(4-7(8)3)10-11-12-13;1-6(2)9-7(3)11(4)10-8(9)5-12;1-7(2)9-5-6-10-11(9)8(3)4;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)8-6-10-5-4-9(8)11-3;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)8-6(3)9-10-7(8)4;1-4-10-8(7(2)3)5-6-9-10;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-4-5-9-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-9H,1-2H3;4-8H,1-3H3;7H,6H2,1-5H3;5-7H,1-4H3;3-7,9,11H,8H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3*3-6H,1-2H3;4-6H,1-3H3;6,12H,5H2,1-4H3;5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;3*4-7H,1-3H3;5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;5H,1-4H3;4-7H,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;4*3-6H,1-2H3
InChIKeyLDQPRSCUTDLVKC-UHFFFAOYSA-N
XLogP81.75
TPSA485.67 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds44
Heavy Atoms343
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004788.01
LogP ≤ 581.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

Analyze N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine with MolForge

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What is the IUPAC name of N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine (CID 159320113) is N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)NCc1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccncc1C(F)(F)F.CC(C)c1ccnn1C.CC(C)c1ccnn1C(C)C.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnn(C)c1.CC(C)c1ncccc1C(F)(F)F.CCCn1nccc1C(C)C.CCn1nccc1C(C)C.COCc1nn(C)c(C)c1C(C)C.COc1ccccc1C(C)C.COc1ccncc1C(C)C.Cc1c(C(C)C)c(CO)nn1C.Cc1cc2nccn2cc1C(C)C.Cc1cc2nnnn2cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1ccsc1C(C)C.Cc1cnccc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1noc(C)c1C(C)C.Cc1sccc1C(C)C.
What is the InChIKey of N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is LDQPRSCUTDLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H14N2.C10H18N2O.2C10H15N.C10H14O.C10H14.3C9H10F3N.C9H12N4.C9H16N2O.2C9H16N2.C9H13NO.3C9H13N.2C8H14N2.C8H13NO.C8H13N.3C8H11N.2C8H12S.2C7H12N2.2C7H10O.2C7H10S/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)10-7-13-5-4-12-11(13)6-9(10)3;1-7(2)10-8(3)12(4)11-9(10)6-13-5;1-7(2)10-8(3)5-6-11-9(10)4;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)8-5-13-9(4-7(8)3)10-11-12-13;1-6(2)9-7(3)11(4)10-8(9)5-12;1-7(2)9-5-6-10-11(9)8(3)4;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)8-6-10-5-4-9(8)11-3;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)8-6(3)9-10-7(8)4;1-4-10-8(7(2)3)5-6-9-10;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-4-5-9-7(8)3;1-6(2)8-7(3)4-5-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-9H,1-2H3;4-8H,1-3H3;7H,6H2,1-5H3;5-7H,1-4H3;3-7,9,11H,8H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3*3-6H,1-2H3;4-6H,1-3H3;6,12H,5H2,1-4H3;5-8H,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;3*4-7H,1-3H3;5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;5H,1-4H3;4-7H,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;4*3-6H,1-2H3.
What are the key properties of N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine?
N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 4788.01 g/mol, XLogP of 81.75, 44 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)methanol;2,4-dimethyl-3-propan-2-ylpyridine;1,5-di(propan-2-yl)pyrazole;1-ethyl-5-propan-2-ylpyrazole;3-(methoxymethyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;7-methyl-6-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;7-methyl-6-propan-2-yltetrazolo[1,5-a]pyridine;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 159320113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).