2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol

C135H198N16O7 — CID 158253332

IUPAC2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol
SMILESCC(C)(C)c1cc(NC2COC2)nc(N2CCOCC2)n1.CC(C)(C)c1ccc(OC2CCCCC2)cc1.CC(C)(C)c1ccc2cccnc2c1O.CC(C)(C)c1ccnc(Cc2cccnc2)c1.CCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CN(C)C(=O)CCCCOc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(NC2CCC2)n1.Cc1cnc(CC2CNC2)cc1C(C)(C)C.Cn1ccc(Cc2cc(C(C)(C)C)ccn2)n1
InChIInChI=1S/C17H27NO2.C17H27NO.C16H24O.C15H24N4O2.C15H18N2.C14H19N3.2C14H22N2.C13H15NO/c1-17(2,3)14-9-8-10-15(13-14)20-12-7-6-11-16(19)18(4)5;1-5-18-12-10-16(11-13-18)19-15-8-6-14(7-9-15)17(2,3)4;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-8-13(16-11-9-21-10-11)18-14(17-12)19-4-6-20-7-5-19;1-15(2,3)13-6-8-17-14(10-13)9-12-5-4-7-16-11-12;1-14(2,3)11-5-7-15-13(9-11)10-12-6-8-17(4)16-12;1-10-7-16-12(5-11-8-15-9-11)6-13(10)14(2,3)4;1-10-8-11(14(2,3)4)9-13(15-10)16-12-6-5-7-12;1-13(2,3)10-7-6-9-5-4-8-14-11(9)12(10)15/h8-10,13H,6-7,11-12H2,1-5H3;6-9,16H,5,10-13H2,1-4H3;9-12,14H,4-8H2,1-3H3;8,11H,4-7,9-10H2,1-3H3,(H,16,17,18);4-8,10-11H,9H2,1-3H3;5-9H,10H2,1-4H3;6-7,11,15H,5,8-9H2,1-4H3;8-9,12H,5-7H2,1-4H3,(H,15,16);4-8,15H,1-3H3
InChIKeyGGZBEQXUPIWSJJ-UHFFFAOYSA-N
MW2157.17 g/mol
LogP28.99
Rot. Bonds22

About 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol

2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol (PubChem CID 158253332) has the molecular formula C135H198N16O7 and a molecular weight of 2157.17 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol
PubChem CID158253332
Molecular FormulaC135H198N16O7
Molecular Weight2157.17 g/mol
Exact Mass2155.56
IUPAC Name2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol
SMILESCC(C)(C)c1cc(NC2COC2)nc(N2CCOCC2)n1.CC(C)(C)c1ccc(OC2CCCCC2)cc1.CC(C)(C)c1ccc2cccnc2c1O.CC(C)(C)c1ccnc(Cc2cccnc2)c1.CCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CN(C)C(=O)CCCCOc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(NC2CCC2)n1.Cc1cnc(CC2CNC2)cc1C(C)(C)C.Cn1ccc(Cc2cc(C(C)(C)C)ccn2)n1
InChIInChI=1S/C17H27NO2.C17H27NO.C16H24O.C15H24N4O2.C15H18N2.C14H19N3.2C14H22N2.C13H15NO/c1-17(2,3)14-9-8-10-15(13-14)20-12-7-6-11-16(19)18(4)5;1-5-18-12-10-16(11-13-18)19-15-8-6-14(7-9-15)17(2,3)4;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-8-13(16-11-9-21-10-11)18-14(17-12)19-4-6-20-7-5-19;1-15(2,3)13-6-8-17-14(10-13)9-12-5-4-7-16-11-12;1-14(2,3)11-5-7-15-13(9-11)10-12-6-8-17(4)16-12;1-10-7-16-12(5-11-8-15-9-11)6-13(10)14(2,3)4;1-10-8-11(14(2,3)4)9-13(15-10)16-12-6-5-7-12;1-13(2,3)10-7-6-9-5-4-8-14-11(9)12(10)15/h8-10,13H,6-7,11-12H2,1-5H3;6-9,16H,5,10-13H2,1-4H3;9-12,14H,4-8H2,1-3H3;8,11H,4-7,9-10H2,1-3H3,(H,16,17,18);4-8,10-11H,9H2,1-3H3;5-9H,10H2,1-4H3;6-7,11,15H,5,8-9H2,1-4H3;8-9,12H,5-7H2,1-4H3,(H,15,16);4-8,15H,1-3H3
InChIKeyGGZBEQXUPIWSJJ-UHFFFAOYSA-N
XLogP28.99
TPSA250.20 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002157.17
LogP ≤ 528.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-[[2-(dimethylamino)-2-oxoethyl]amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[3-(dimethylamino)propoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-8-hydroxyquinoline-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethyl)pyridine-4-carboxamide;N-[(2S)-2-hydroxy-3-(1,1,3,3-tetradeuterio-4H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 157493662
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butylquinoline;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;4-tert-butyl-2-(6,6,6-trifluorohexyl)pyridine
CID 162258240
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine;methane
CID 157271261
1-butoxy-4-tert-butylbenzene;4-tert-butyl-5-methyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;1-[3-[(4-tert-butyl-5-methyl-2-pyridinyl)amino]azetidin-1-yl]ethanone;2-(4-tert-butylphenoxy)-N,N-dimethylethanamine;2-(4-tert-butylphenoxy)-N-ethyl-N-methylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-tert-butyl-2-(1H-pyrazol-5-ylmethyl)pyridine;4-tert-butyl-2-(pyridin-2-ylmethyl)pyridine
CID 158979626
N-(azetidin-3-yl)-6-tert-butyl-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-propan-2-yloxypyrimidin-4-amine;6-tert-butyl-2-methoxy-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(2-methylpropyl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-[4-[4-tert-butyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]butan-1-one;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2-methylpropan-1-one;methane
CID 159913103
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160595346
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine
CID 160549475
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 157493374
4-tert-butyl-N-cyclobutyl-6-(4-methylpiperazin-1-yl)pyridin-2-amine;4-tert-butyl-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-piperidin-1-ylpyrimidin-4-amine;4-tert-butyl-2-(pyridin-4-ylmethyl)pyridine;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]butan-1-one;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]azetidin-1-yl]-2-methylpropan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 158835705
N-(3-tert-butyl-2-methylphenyl)oxan-4-amine;2-tert-butyl-4-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;4-(3-tert-butylphenoxy)oxane;4-[(3-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-N-methyloxan-4-amine;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;(3-tert-butylphenyl)-morpholin-4-ylmethanone;2-(3-tert-butylphenyl)pyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine
CID 161029409
6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone
CID 162017612
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158703441

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol?
The IUPAC name of 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol (CID 158253332) is 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol is CC(C)(C)c1cc(NC2COC2)nc(N2CCOCC2)n1.CC(C)(C)c1ccc(OC2CCCCC2)cc1.CC(C)(C)c1ccc2cccnc2c1O.CC(C)(C)c1ccnc(Cc2cccnc2)c1.CCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CN(C)C(=O)CCCCOc1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(NC2CCC2)n1.Cc1cnc(CC2CNC2)cc1C(C)(C)C.Cn1ccc(Cc2cc(C(C)(C)C)ccn2)n1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol?
The InChIKey is GGZBEQXUPIWSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C17H27NO.C16H24O.C15H24N4O2.C15H18N2.C14H19N3.2C14H22N2.C13H15NO/c1-17(2,3)14-9-8-10-15(13-14)20-12-7-6-11-16(19)18(4)5;1-5-18-12-10-16(11-13-18)19-15-8-6-14(7-9-15)17(2,3)4;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)12-8-13(16-11-9-21-10-11)18-14(17-12)19-4-6-20-7-5-19;1-15(2,3)13-6-8-17-14(10-13)9-12-5-4-7-16-11-12;1-14(2,3)11-5-7-15-13(9-11)10-12-6-8-17(4)16-12;1-10-7-16-12(5-11-8-15-9-11)6-13(10)14(2,3)4;1-10-8-11(14(2,3)4)9-13(15-10)16-12-6-5-7-12;1-13(2,3)10-7-6-9-5-4-8-14-11(9)12(10)15/h8-10,13H,6-7,11-12H2,1-5H3;6-9,16H,5,10-13H2,1-4H3;9-12,14H,4-8H2,1-3H3;8,11H,4-7,9-10H2,1-3H3,(H,16,17,18);4-8,10-11H,9H2,1-3H3;5-9H,10H2,1-4H3;6-7,11,15H,5,8-9H2,1-4H3;8-9,12H,5-7H2,1-4H3,(H,15,16);4-8,15H,1-3H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol?
2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol has a molecular weight of 2157.17 g/mol, XLogP of 28.99, 22 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-4-tert-butyl-5-methylpyridine;4-tert-butyl-N-cyclobutyl-6-methylpyridin-2-amine;1-tert-butyl-4-cyclohexyloxybenzene;4-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pyridine;6-tert-butyl-2-morpholin-4-yl-N-(oxetan-3-yl)pyrimidin-4-amine;5-(3-tert-butylphenoxy)-N,N-dimethylpentanamide;4-(4-tert-butylphenoxy)-1-ethylpiperidine;4-tert-butyl-2-(pyridin-3-ylmethyl)pyridine;7-tert-butylquinolin-8-ol is sourced from PubChem (CID 158253332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).