2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine

C181H288FN25O4 — CID 161356851

IUPAC2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine
SMILESCC(=O)N(C)c1cccc(C(C)C)n1.CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1ccc(F)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)(C)C(C)(C)C)n1.CC(C)c1cccc(N(C)C(C)C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1cnc(C(C)(C)C)cn1.CCCN(C)c1cccc(C(C)C)n1.CCCc1cccc(C(C)C)n1.CCN(CC)Cc1cccc(C(C)C)n1.CCN(Cc1cccc(C(C)C)n1)C(C)C.COC(=O)c1cccc(C(C)C)n1.COC(C)(C)c1cc(C(C)C)ccn1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C15H25N.C14H24N2.C13H19F.C13H22N2.2C12H20N2.C12H19NO.C12H19N.C11H16N2O.2C11H18N2.C11H17N.C10H13NO2.C9H14N2.C8H12N2.C7H12N2/c1-11(2)12-9-8-10-13(16-12)15(6,7)14(3,4)5;1-6-16(12(4)5)10-13-8-7-9-14(15-13)11(2)3;1-9(2)10-6-7-12(14)11(8-10)13(3,4)5;1-5-15(6-2)10-12-8-7-9-13(14-12)11(3)4;1-9(2)11-7-6-8-12(13-11)14(5)10(3)4;1-5-9-14(4)12-8-6-7-11(13-12)10(2)3;1-9(2)10-6-7-13-11(8-10)12(3,4)14-5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-8(2)10-6-5-7-11(12-10)13(4)9(3)14;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-4-6-10-7-5-8-11(12-10)9(2)3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-4-5-9(3)8-7/h8-11H,1-7H3;7-9,11-12H,6,10H2,1-5H3;6-9H,1-5H3;7-9,11H,5-6,10H2,1-4H3;6-10H,1-5H3;6-8,10H,5,9H2,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-8H,1-4H3;2*6-8H,1-5H3;5,7-9H,4,6H2,1-3H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyVOQUKVFQKMNMFL-UHFFFAOYSA-N
MW2897.46 g/mol
LogP46.87
Rot. Bonds37

About 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine

2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine (PubChem CID 161356851) has the molecular formula C181H288FN25O4 and a molecular weight of 2897.46 g/mol. Its IUPAC name is 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine
PubChem CID161356851
Molecular FormulaC181H288FN25O4
Molecular Weight2897.46 g/mol
Exact Mass2895.31
IUPAC Name2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine
SMILESCC(=O)N(C)c1cccc(C(C)C)n1.CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1ccc(F)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)(C)C(C)(C)C)n1.CC(C)c1cccc(N(C)C(C)C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1cnc(C(C)(C)C)cn1.CCCN(C)c1cccc(C(C)C)n1.CCCc1cccc(C(C)C)n1.CCN(CC)Cc1cccc(C(C)C)n1.CCN(Cc1cccc(C(C)C)n1)C(C)C.COC(=O)c1cccc(C(C)C)n1.COC(C)(C)c1cc(C(C)C)ccn1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C15H25N.C14H24N2.C13H19F.C13H22N2.2C12H20N2.C12H19NO.C12H19N.C11H16N2O.2C11H18N2.C11H17N.C10H13NO2.C9H14N2.C8H12N2.C7H12N2/c1-11(2)12-9-8-10-13(16-12)15(6,7)14(3,4)5;1-6-16(12(4)5)10-13-8-7-9-14(15-13)11(2)3;1-9(2)10-6-7-12(14)11(8-10)13(3,4)5;1-5-15(6-2)10-12-8-7-9-13(14-12)11(3)4;1-9(2)11-7-6-8-12(13-11)14(5)10(3)4;1-5-9-14(4)12-8-6-7-11(13-12)10(2)3;1-9(2)10-6-7-13-11(8-10)12(3,4)14-5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-8(2)10-6-5-7-11(12-10)13(4)9(3)14;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-4-6-10-7-5-8-11(12-10)9(2)3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-4-5-9(3)8-7/h8-11H,1-7H3;7-9,11-12H,6,10H2,1-5H3;6-9H,1-5H3;7-9,11H,5-6,10H2,1-4H3;6-10H,1-5H3;6-8,10H,5,9H2,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-8H,1-4H3;2*6-8H,1-5H3;5,7-9H,4,6H2,1-3H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyVOQUKVFQKMNMFL-UHFFFAOYSA-N
XLogP46.87
TPSA310.68 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.46
LogP ≤ 546.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[5-fluoro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]pyridine-2-carboxylate
CID 124125943
Methyl 7-[2-fluoro-4-[4-[7-(2-fluoro-4-pyrazol-1-ylanilino)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]-1,6-naphthyridin-4-yl]pyrazol-1-yl]anilino]-1,6-naphthyridine-2-carboxylate
CID 156242557
Cyano 6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-(4-pyrimidin-2-ylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 169083386
Cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 169083396
Cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 169083403
Tert-butyl 3-[[4-(5-ethoxycarbonyl-1-methylpyrazol-4-yl)benzoyl]-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]piperidine-1-carboxylate
CID 117652845
(R)-tert-butyl 3-(4-(5-(ethoxycarbonyl)-1-methyl-1H-pyrazol-4-yl)-N-(1-methyl-1H-pyrrolo[2,3-c]pyridin-7-yl)benzamido)piperidine-1-carboxylate
CID 117652846
Ethyl 1-cyclohexyl-4-[2-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidin-5-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743647
Ethyl 5-[1-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]pyrazolo[3,4-c]pyridin-5-yl]-6-methylpyridine-2-carboxylate
CID 140242022
Methyl 5-[2-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate
CID 149570549
Benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[4-[6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-2-carbonyl]amino]-3-pyridinyl]triazol-1-yl]piperidine-1-carboxylate
CID 156867592
benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
CID 158098084

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine?
The IUPAC name of 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine (CID 161356851) is 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine?
The canonical SMILES for 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine is CC(=O)N(C)c1cccc(C(C)C)n1.CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1ccc(F)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)(C)C(C)(C)C)n1.CC(C)c1cccc(N(C)C(C)C)n1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1cnc(C(C)(C)C)cn1.CCCN(C)c1cccc(C(C)C)n1.CCCc1cccc(C(C)C)n1.CCN(CC)Cc1cccc(C(C)C)n1.CCN(Cc1cccc(C(C)C)n1)C(C)C.COC(=O)c1cccc(C(C)C)n1.COC(C)(C)c1cc(C(C)C)ccn1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine?
The InChIKey is VOQUKVFQKMNMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.C14H24N2.C13H19F.C13H22N2.2C12H20N2.C12H19NO.C12H19N.C11H16N2O.2C11H18N2.C11H17N.C10H13NO2.C9H14N2.C8H12N2.C7H12N2/c1-11(2)12-9-8-10-13(16-12)15(6,7)14(3,4)5;1-6-16(12(4)5)10-13-8-7-9-14(15-13)11(2)3;1-9(2)10-6-7-12(14)11(8-10)13(3,4)5;1-5-15(6-2)10-12-8-7-9-13(14-12)11(3)4;1-9(2)11-7-6-8-12(13-11)14(5)10(3)4;1-5-9-14(4)12-8-6-7-11(13-12)10(2)3;1-9(2)10-6-7-13-11(8-10)12(3,4)14-5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-8(2)10-6-5-7-11(12-10)13(4)9(3)14;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-4-6-10-7-5-8-11(12-10)9(2)3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)8-4-5-9-7(3)10-8;1-6(2)7-4-5-9(3)8-7/h8-11H,1-7H3;7-9,11-12H,6,10H2,1-5H3;6-9H,1-5H3;7-9,11H,5-6,10H2,1-4H3;6-10H,1-5H3;6-8,10H,5,9H2,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-8H,1-4H3;2*6-8H,1-5H3;5,7-9H,4,6H2,1-3H3;4-7H,1-3H3;5-8H,3-4H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3.
What are the key properties of 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine?
2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine has a molecular weight of 2897.46 g/mol, XLogP of 46.87, 37 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-fluoro-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-ylpyrazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;1-cyclopropyl-3-propan-2-ylpyrazole;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;N-methyl-6-propan-2-yl-N-propylpyridin-2-amine;1-methyl-3-propan-2-ylpyrazole;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-4-propan-2-ylpyrimidine;2-propan-2-yl-6-propylpyridine;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine is sourced from PubChem (CID 161356851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).