cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol

C188H282N14O9 — CID 158151497

IUPACcumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol
SMILESC.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccncc1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO.C14H22N2.C14H21NO.2C14H21N.C13H19NO.C13H19N.C13H20O2.2C12H19NO2.C10H15N.C10H14.C9H12.3C8H11N.CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;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;/h3-6,13H,7-12H2,1-2H3;6-7,10,12H,3-5,8-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;5-8,10,12,14H,4,9H2,1-3H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;1H4
InChIKeyFVEATFHVUPXQIW-UHFFFAOYSA-N
MW2882.41 g/mol
LogP45.06
Rot. Bonds41

About cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol

cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol (PubChem CID 158151497) has the molecular formula C188H282N14O9 and a molecular weight of 2882.41 g/mol. Its IUPAC name is cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol.

Molecular Properties

Compound Namecumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol
PubChem CID158151497
Molecular FormulaC188H282N14O9
Molecular Weight2882.41 g/mol
Exact Mass2880.20
IUPAC Namecumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol
SMILESC.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccncc1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO.C14H22N2.C14H21NO.2C14H21N.C13H19NO.C13H19N.C13H20O2.2C12H19NO2.C10H15N.C10H14.C9H12.3C8H11N.CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;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;/h3-6,13H,7-12H2,1-2H3;6-7,10,12H,3-5,8-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;5-8,10,12,14H,4,9H2,1-3H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;1H4
InChIKeyFVEATFHVUPXQIW-UHFFFAOYSA-N
XLogP45.06
TPSA228.98 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002882.41
LogP ≤ 545.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 165065883
1-[2,3-Bis[2-[2,3-bis[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethoxy]propoxy]ethoxy]propoxy]-3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propan-2-ol
CID 23516603
2,3-Bis[2-[2,3-bis[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethoxy]propoxy]ethoxy]propan-1-ol
CID 23516633
2,3-Bis[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol
CID 23516635
Copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
CID 58954179
Copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
CID 58954211
CID 58954229
CID 58954229
1-[2,3-Bis[2-[2,3-bis[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethoxy]propoxy]ethoxy]propoxy]-3-[3-(2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propan-2-ol
CID 59993897
Ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)
CID 142185725
2-[2-[2-[3,5-Bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-pyridin-2-ylbenzene-4-id-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+)
CID 156674208
1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol
CID 157086038
2,4-Dimethyl-6-propan-2-ylpyridine;methane;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;4-[(4-propan-2-ylphenyl)methyl]morpholine;2-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 157132988

Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?
The IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol (CID 158151497) is cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol.
What is the SMILES notation for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?
The canonical SMILES for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol is C.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccncc1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?
The InChIKey is FVEATFHVUPXQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C14H22N2.C14H21NO.2C14H21N.C13H19NO.C13H19N.C13H20O2.2C12H19NO2.C10H15N.C10H14.C9H12.3C8H11N.CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-12(2)14-7-5-6-13(10-14)11-15-8-3-4-9-15;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;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;/h3-6,13H,7-12H2,1-2H3;6-7,10,12H,3-5,8-9,11H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;5-8,10,12,14H,4,9H2,1-3H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;5-7H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;1H4.
What are the key properties of cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?
cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol has a molecular weight of 2882.41 g/mol, XLogP of 45.06, 41 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol is sourced from PubChem (CID 158151497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).