1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine

C196H296N26O8S5 — CID 161331070

IUPAC1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCOCC2)n1.CC(C)c1cccc(OCC(O)CO)c1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCOCC2)s1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1
InChIInChI=1S/C15H23NO.C14H21NO.2C14H21N.C13H20N2O.2C13H20N2.C12H18O3.2C11H18N2OS.C10H14.C8H11N.4C7H10N2.2C7H11NS.C6H9NS/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;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)13-5-3-4-12(14-13)10-15-6-8-16-9-7-15;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-9(2)11-12-7-10(15-11)8-13-3-5-14-6-4-13;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6/h3-6,13H,7-12H2,1-2H3;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;3-5,11H,6-10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3-6,9,11,13-14H,7-8H2,1-2H3;8-9H,3-7H2,1-2H3;7,9H,3-6,8H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4*3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyVLKQPCKFYOEYGS-UHFFFAOYSA-N
MW3305.03 g/mol
LogP44.66
Rot. Bonds42

About 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine

1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 161331070) has the molecular formula C196H296N26O8S5 and a molecular weight of 3305.03 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID161331070
Molecular FormulaC196H296N26O8S5
Molecular Weight3305.03 g/mol
Exact Mass3302.22
IUPAC Name1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCOCC2)n1.CC(C)c1cccc(OCC(O)CO)c1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCOCC2)s1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1
InChIInChI=1S/C15H23NO.C14H21NO.2C14H21N.C13H20N2O.2C13H20N2.C12H18O3.2C11H18N2OS.C10H14.C8H11N.4C7H10N2.2C7H11NS.C6H9NS/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;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)13-5-3-4-12(14-13)10-15-6-8-16-9-7-15;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-9(2)11-12-7-10(15-11)8-13-3-5-14-6-4-13;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6/h3-6,13H,7-12H2,1-2H3;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;3-5,11H,6-10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3-6,9,11,13-14H,7-8H2,1-2H3;8-9H,3-7H2,1-2H3;7,9H,3-6,8H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4*3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyVLKQPCKFYOEYGS-UHFFFAOYSA-N
XLogP44.66
TPSA344.13 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds42
Heavy Atoms235
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003305.03
LogP ≤ 544.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine (CID 161331070) is 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine is CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCC2)c1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(CN2CCOCC2)n1.CC(C)c1cccc(OCC(O)CO)c1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1ncc(CN2CCOCC2)s1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.
What is the InChIKey of 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is VLKQPCKFYOEYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C14H21NO.2C14H21N.C13H20N2O.2C13H20N2.C12H18O3.2C11H18N2OS.C10H14.C8H11N.4C7H10N2.2C7H11NS.C6H9NS/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;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)13-5-3-4-12(14-13)10-15-6-8-16-9-7-15;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-9(2)11-12-7-10(15-11)8-13-3-5-14-6-4-13;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6/h3-6,13H,7-12H2,1-2H3;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;3-5,11H,6-10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3-6,9,11,13-14H,7-8H2,1-2H3;8-9H,3-7H2,1-2H3;7,9H,3-6,8H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4*3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine?
1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 3305.03 g/mol, XLogP of 44.66, 42 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-(3-propan-2-ylphenoxy)propane-1,2-diol;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;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 161331070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).