1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C177H253F9N22O8 — CID 160946623

IUPAC1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.CC(=O)Nc1ccc(C(C)C)cn1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cnc(C(F)(F)F)cn1.CCCC1CC=C(C(C)C)C=N1.CCOC(=O)c1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C12H16.C11H18N2.C11H15NO2.C11H17N.C11H19N.C10H11F3.C10H14N2O.C10H16N2.C10H13NO2.C10H15N.C10H14.C9H10F3N.C9H14N2.C9H11NO2.C9H13NO.C8H9F3N2.2C8H12N2.CH4/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-14-11(13)10-6-5-9(7-12-10)8(2)3;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-5-9(10-3)11-6-8;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-9(6-11)10-5-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;/h3-6,9,12H,7-8H2,1-2H3;5-9H,1-4H3,(H,12,13);5-8H,4H2,1-3H3;5-9H,1-4H3;6,8-9,11H,4-5,7H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12,13);5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-5H,1-2H3;2*4-6H,1-3H3;1H4
InChIKeySVEWADKERFLZOE-UHFFFAOYSA-N
MW2988.10 g/mol
LogP47.92
Rot. Bonds33

About 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160946623) has the molecular formula C177H253F9N22O8 and a molecular weight of 2988.10 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID160946623
Molecular FormulaC177H253F9N22O8
Molecular Weight2988.10 g/mol
Exact Mass2985.99
IUPAC Name1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.CC(=O)Nc1ccc(C(C)C)cn1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cnc(C(F)(F)F)cn1.CCCC1CC=C(C(C)C)C=N1.CCOC(=O)c1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C12H16.C11H18N2.C11H15NO2.C11H17N.C11H19N.C10H11F3.C10H14N2O.C10H16N2.C10H13NO2.C10H15N.C10H14.C9H10F3N.C9H14N2.C9H11NO2.C9H13NO.C8H9F3N2.2C8H12N2.CH4/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-14-11(13)10-6-5-9(7-12-10)8(2)3;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-5-9(10-3)11-6-8;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-9(6-11)10-5-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;/h3-6,9,12H,7-8H2,1-2H3;5-9H,1-4H3,(H,12,13);5-8H,4H2,1-3H3;5-9H,1-4H3;6,8-9,11H,4-5,7H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12,13);5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-5H,1-2H3;2*4-6H,1-3H3;1H4
InChIKeySVEWADKERFLZOE-UHFFFAOYSA-N
XLogP47.92
TPSA398.02 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002988.10
LogP ≤ 547.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

(2S)-2-[[2-(4-methylpiperidin-1-yl)-6-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidine-4-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 60057782
2-[[2-(4-Methylpiperidin-1-yl)-6-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidine-4-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 69765466
(2S,5R)-benzyl 5-(8-amino-1-(4-((4-(trifluoromethyl)pyridin-2-yl)carbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 86727875
benzyl (2S,5R)-5-[8-amino-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-(methoxymethyl)piperidine-1-carboxylate
CID 90302907
Benzyl 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-(methoxymethyl)piperidine-1-carboxylate
CID 90303860
2-benzoyloxyethyl-[[4-[(1R)-1-[5-[6-[[4-(difluoromethyl)pyridin-2-yl]amino]-4-methylpyridin-2-yl]pyridin-2-yl]-1-hydroxyethyl]cyclohexanecarbonyl]oxymethyl]-dimethylazanium
CID 118363691
2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2R)-1-[[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-2-yl]methoxy]propan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 130425762
1-Cyclopropyl-4-propan-2-ylbenzene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;2-ethyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;hexakis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
CID 157133778
N-[(1R,2S)-1,2-dihydroxy-2-[6-[5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-pyridinyl]ethyl]formamide;6-[[(1R)-1-formamidoethyl]amino]-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carboxamide;6-[[(1R)-1-formamidoethyl]amino]-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carboxamide;6-[5-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxamide
CID 157458767
N-[(1R,2S)-1,2-dihydroxy-2-[6-[5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-pyridinyl]ethyl]formamide;6-[[(1R)-1-formamidoethyl]amino]-2-[5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carboxamide;6-[[(1R)-1-formamidoethyl]amino]-2-[5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carboxamide;6-[[(1R)-1-formamidoethyl]amino]-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carboxamide;6-[5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxamide
CID 157580270
1-Tert-butyl-4-cyclopropylbenzene;5-tert-butyl-1-cyclopropylpyridin-2-one;5-tert-butyl-2,4-dimethylpyridine;5-tert-butyl-2-ethylpyridine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyrazine;bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;1-tert-butyl-4-propan-2-ylbenzene;5-tert-butyl-2-propylpyridine;5-tert-butylpyridine-2-carboxylic acid;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-1-(trifluoromethyl)pyridin-2-one;tetrakis(2-methyl-5-propan-2-ylpyridine);(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157592445
2-(3,3-difluoroazetidin-1-yl)-6-propan-2-ylpyridine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine;N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]propan-2-amine;3-fluoro-2-(6-propan-2-yl-2-pyridinyl)butan-2-ol;bis(2-(2-methylbutan-2-yl)-6-propan-2-ylpyridine);2-(1-methylcyclopropyl)-6-propan-2-ylpyridine;N-methyl-N,6-di(propan-2-yl)pyridin-2-amine;methyl N-methyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]carbamate;methyl 2-methyl-2-(6-propan-2-yl-2-pyridinyl)propanoate;2-(3-methyloxetan-3-yl)-6-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;N-methyl-N-(6-propan-2-yl-2-pyridinyl)acetamide;2-methyl-2-(6-propan-2-yl-2-pyridinyl)propan-1-ol;2-methyl-4-propan-2-ylpyrimidine;1-(6-propan-2-yl-2-pyridinyl)ethanone;2-propan-2-yl-6-(2,3,3-trimethylbutan-2-yl)pyridine
CID 157597801

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 160946623) is 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine is C.CC(=O)Nc1ccc(C(C)C)cn1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cnc(C(F)(F)F)cn1.CCCC1CC=C(C(C)C)C=N1.CCOC(=O)c1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is SVEWADKERFLZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C11H18N2.C11H15NO2.C11H17N.C11H19N.C10H11F3.C10H14N2O.C10H16N2.C10H13NO2.C10H15N.C10H14.C9H10F3N.C9H14N2.C9H11NO2.C9H13NO.C8H9F3N2.2C8H12N2.CH4/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-14-11(13)10-6-5-9(7-12-10)8(2)3;1-8(2)10-5-6-11(9(3)4)12-7-10;1-4-5-11-7-6-10(8-12-11)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-5-9(10-3)11-6-8;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-9(6-11)10-5-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;/h3-6,9,12H,7-8H2,1-2H3;5-9H,1-4H3,(H,12,13);5-8H,4H2,1-3H3;5-9H,1-4H3;6,8-9,11H,4-5,7H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12,13);5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-5H,1-2H3;2*4-6H,1-3H3;1H4.
What are the key properties of 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 2988.10 g/mol, XLogP of 47.92, 33 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160946623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).