tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C152H245F3N20O9 — CID 159828882

IUPACtert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(=O)Nc1cc(C(C)(C)C)ccn1.CC(C)(C)C1CC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(C(C)(C)O)c1.CC(C)(C)c1ccnc(CO)c1.CC(C)(C)c1ccnc(NCC(F)(F)F)c1.CC(C)(C)c1ccncn1.CC1COCCN1C(C)(C)C.COc1cc(C(C)(C)C)ccn1.COc1ccc(C(C)(C)C)cn1.C[C@H]1CCCCN1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cn(C(C)(C)C)cn1
InChIInChI=1S/C12H19NO.C11H15F3N2.C11H16N2O.C10H12N2.3C10H15NO.C10H15N.C10H21N.C9H19NO.2C9H13NO.C8H14N2.C8H12N2.C8H17NO.C7H14/c1-11(2,3)9-6-7-13-10(8-9)12(4,5)14;1-10(2,3)8-4-5-15-9(6-8)16-7-11(12,13)14;1-8(14)13-10-7-9(5-6-12-10)11(2,3)4;1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-4-5-11-9(6-8)7-12;1-8-7-9(5-6-11-8)10(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-8-7-11-6-5-10(8)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)7-4-5-8(11)10-6-7;1-7-5-10(6-9-7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)6-4-5-6/h6-8,14H,1-5H3;4-6H,7H2,1-3H3,(H,15,16);5-7H,1-4H3,(H,12,13,14);4-6H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-6H,1-3H3,(H,10,11);5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3;6H,4-5H2,1-3H3/t;;;;;;;;9-;;;;;;;/m........0......./s1
InChIKeyNNEUUUCBFGMNMZ-IZEGHQLJSA-N
MW2553.76 g/mol
LogP34.67
Rot. Bonds7

About tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 159828882) has the molecular formula C152H245F3N20O9 and a molecular weight of 2553.76 g/mol. Its IUPAC name is tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Nametert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID159828882
Molecular FormulaC152H245F3N20O9
Molecular Weight2553.76 g/mol
Exact Mass2551.93
IUPAC Nametert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(=O)Nc1cc(C(C)(C)C)ccn1.CC(C)(C)C1CC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(C(C)(C)O)c1.CC(C)(C)c1ccnc(CO)c1.CC(C)(C)c1ccnc(NCC(F)(F)F)c1.CC(C)(C)c1ccncn1.CC1COCCN1C(C)(C)C.COc1cc(C(C)(C)C)ccn1.COc1ccc(C(C)(C)C)cn1.C[C@H]1CCCCN1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cn(C(C)(C)C)cn1
InChIInChI=1S/C12H19NO.C11H15F3N2.C11H16N2O.C10H12N2.3C10H15NO.C10H15N.C10H21N.C9H19NO.2C9H13NO.C8H14N2.C8H12N2.C8H17NO.C7H14/c1-11(2,3)9-6-7-13-10(8-9)12(4,5)14;1-10(2,3)8-4-5-15-9(6-8)16-7-11(12,13)14;1-8(14)13-10-7-9(5-6-12-10)11(2,3)4;1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-4-5-11-9(6-8)7-12;1-8-7-9(5-6-11-8)10(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-8-7-11-6-5-10(8)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)7-4-5-8(11)10-6-7;1-7-5-10(6-9-7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)6-4-5-6/h6-8,14H,1-5H3;4-6H,7H2,1-3H3,(H,15,16);5-7H,1-4H3,(H,12,13,14);4-6H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-6H,1-3H3,(H,10,11);5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3;6H,4-5H2,1-3H3/t;;;;;;;;9-;;;;;;;/m........0......./s1
InChIKeyNNEUUUCBFGMNMZ-IZEGHQLJSA-N
XLogP34.67
TPSA364.46 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds7
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002553.76
LogP ≤ 534.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-methoxy-5-propan-2-ylpyridine;nonakis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157894764
CID 158217703
CID 158217703
N-[3-[[2-[[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxy-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[6-[[1-(2-fluoroethyl)pyrrolidin-3-yl]amino]-2-(hydroxymethyl)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[4-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 158341051
CID 158663659
CID 158663659
2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 159650839
2,4-dimethyl-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;3-methyl-5-propan-2-ylpyridin-2-amine;N-methyl-5-propan-2-ylpyridin-2-amine;bis(6-methyl-5-propan-2-ylpyridin-2-amine);2-methyl-5-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;1-methyl-3-(5-propan-2-ylpyrimidin-2-yl)urea;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 160161995
2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 160790153
2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 161126112
2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(3-imidazol-1-ylpropyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-2-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 161726574
2-tert-butyl-4-propan-2-ylpyrimidine;2-cyclopropyl-4-propan-2-ylpyrimidine;2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,4-dimethoxy-6-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyrimidine;2,4-di(propan-2-yl)pyrimidine;2-ethoxy-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyrimidine;methane;2-methoxy-4-propan-2-ylpyrimidine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-methyl-4-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 161781575
2,2-dimethyl-N-(6-propan-2-yl-2-pyridinyl)propanamide;ethyl 6-propan-2-ylpyridine-3-carboxylate;N-(2-imidazol-1-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;4-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine-3-carbonitrile;methyl 2-propan-2-ylpyridine-4-carboxylate;N-(2-morpholin-4-ylethyl)-6-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;(2-propan-2-yl-4-pyridinyl)methanol;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 162137599
2-cyclopropyl-5-propan-2-ylpyridine;2-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;N,N-diethyl-5-propan-2-ylpyridin-2-amine;2-(difluoromethoxy)-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,3-dimethyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethoxy-5-propan-2-ylpyridine-3-carbonitrile;2-ethyl-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;2-piperidin-1-yl-5-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;4-(5-propan-2-yl-2-pyridinyl)morpholine;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine;5-propan-2-yl-2H-tetrazole;N,N,4-trimethyl-5-propan-2-ylpyridin-2-amine
CID 162194867

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 159828882) is tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC(=O)Nc1cc(C(C)(C)C)ccn1.CC(C)(C)C1CC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(C(C)(C)O)c1.CC(C)(C)c1ccnc(CO)c1.CC(C)(C)c1ccnc(NCC(F)(F)F)c1.CC(C)(C)c1ccncn1.CC1COCCN1C(C)(C)C.COc1cc(C(C)(C)C)ccn1.COc1ccc(C(C)(C)C)cn1.C[C@H]1CCCCN1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cn(C(C)(C)C)cn1.
What is the InChIKey of tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is NNEUUUCBFGMNMZ-IZEGHQLJSA-N. The full InChI is InChI=1S/C12H19NO.C11H15F3N2.C11H16N2O.C10H12N2.3C10H15NO.C10H15N.C10H21N.C9H19NO.2C9H13NO.C8H14N2.C8H12N2.C8H17NO.C7H14/c1-11(2,3)9-6-7-13-10(8-9)12(4,5)14;1-10(2,3)8-4-5-15-9(6-8)16-7-11(12,13)14;1-8(14)13-10-7-9(5-6-12-10)11(2,3)4;1-10(2,3)8-4-5-12-9(6-8)7-11;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-4-5-11-9(6-8)7-12;1-8-7-9(5-6-11-8)10(2,3)4;1-9-7-5-6-8-11(9)10(2,3)4;1-8-7-11-6-5-10(8)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)7-4-5-8(11)10-6-7;1-7-5-10(6-9-7)8(2,3)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)6-4-5-6/h6-8,14H,1-5H3;4-6H,7H2,1-3H3,(H,15,16);5-7H,1-4H3,(H,12,13,14);4-6H,1-3H3;2*5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;2*4-6H,1-3H3,(H,10,11);5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3;6H,4-5H2,1-3H3/t;;;;;;;;9-;;;;;;;/m........0......./s1.
What are the key properties of tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 2553.76 g/mol, XLogP of 34.67, 7 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylimidazole;4-tert-butyl-3-methylmorpholine;(2S)-1-tert-butyl-2-methylpiperidine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;N-(4-tert-butyl-2-pyridinyl)acetamide;(4-tert-butyl-2-pyridinyl)methanol;2-(4-tert-butyl-2-pyridinyl)propan-2-ol;4-tert-butylpyrimidine;4-tert-butyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 159828882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).