N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane

C187H344F6N28O16 — CID 160829641

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
SMILESCC(=O)NC(C)C.CC(C)(C)C#N.CC(C)(C)C(O)c1cc(F)cc(F)c1.CC(C)C(=O)NC1CCCN(C)C1.CC(C)C(=O)NC1CN(C)C1.CC(C)C(=O)NC1CN2CCC1CC2.CC(C)C(=O)NCC1CCOCC1.CC(C)C(F)(F)F.CC(C)C(O)c1ccnn1C.CC(C)C1CC1.CC(C)CC(=O)O.CC(C)CC(N)=O.CC(C)CC1CCC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)N(C)C.CC(C)N1CCOCC1.CC(C)O.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H14F2O.C11H20N2O.C10H13F.C10H18N2O.C10H20N2O.C10H19NO2.C10H14.C8H13N3.C8H16N2O.C8H14N2O.C8H17NO.C8H16.2C7H12N2.C7H15NO.2C6H10N2.C6H12.2C5H11NO.C5H13N.C5H9N.C5H10O2.C4H7F3.C4H10O.C3H8O/c1-11(2,3)10(14)7-4-8(12)6-9(13)5-7;1-8(2)11(14)12-10-7-13-5-3-9(10)4-6-13;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-8(2)10(13)11-9-5-4-6-12(3)7-9;1-8(2)10(12)11-7-9-3-5-13-6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-5(2)7-9-8(11-10-7)6-3-4-6;1-6(2)8(11)9-7-4-10(3)5-7;1-6(2)8(11)7-4-5-9-10(7)3;1-8(2)7-9-3-5-10-6-4-9;1-7(2)6-8-4-3-5-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-6;1-4(2)6-5(3)7;1-4(2)3-5(6)7;1-5(2)6(3)4;1-5(2,3)4-6;1-4(2)3-5(6)7;1-3(2)4(5,6)7;1-4(2)3-5;1-3(2)4/h4-6,10,14H,1-3H3;8-10H,3-7H2,1-2H3,(H,12,14);3-6,8H,7H2,1-2H3;5-6,8,13H,7H2,1-4H3;8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9H,8H2,1-2H3;5-6H,3-4H2,1-2H3,(H,9,10,11);6-7H,4-5H2,1-3H3,(H,9,11);4-6,8,11H,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;2*3-5H,1-2H3,(H,7,8);5-6H,3-4H2,1-2H3;4H,1-3H3,(H,6,7);4H,3H2,1-2H3,(H2,6,7);5H,1-4H3;1-3H3;4H,3H2,1-2H3,(H,6,7);3H,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeySGPYDNNDXQGRNV-UHFFFAOYSA-N
MW3354.98 g/mol
LogP37.25
Rot. Bonds38

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane (PubChem CID 160829641) has the molecular formula C187H344F6N28O16 and a molecular weight of 3354.98 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
PubChem CID160829641
Molecular FormulaC187H344F6N28O16
Molecular Weight3354.98 g/mol
Exact Mass3352.69
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
SMILESCC(=O)NC(C)C.CC(C)(C)C#N.CC(C)(C)C(O)c1cc(F)cc(F)c1.CC(C)C(=O)NC1CCCN(C)C1.CC(C)C(=O)NC1CN(C)C1.CC(C)C(=O)NC1CN2CCC1CC2.CC(C)C(=O)NCC1CCOCC1.CC(C)C(F)(F)F.CC(C)C(O)c1ccnn1C.CC(C)C1CC1.CC(C)CC(=O)O.CC(C)CC(N)=O.CC(C)CC1CCC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)N(C)C.CC(C)N1CCOCC1.CC(C)O.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H14F2O.C11H20N2O.C10H13F.C10H18N2O.C10H20N2O.C10H19NO2.C10H14.C8H13N3.C8H16N2O.C8H14N2O.C8H17NO.C8H16.2C7H12N2.C7H15NO.2C6H10N2.C6H12.2C5H11NO.C5H13N.C5H9N.C5H10O2.C4H7F3.C4H10O.C3H8O/c1-11(2,3)10(14)7-4-8(12)6-9(13)5-7;1-8(2)11(14)12-10-7-13-5-3-9(10)4-6-13;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-8(2)10(13)11-9-5-4-6-12(3)7-9;1-8(2)10(12)11-7-9-3-5-13-6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-5(2)7-9-8(11-10-7)6-3-4-6;1-6(2)8(11)9-7-4-10(3)5-7;1-6(2)8(11)7-4-5-9-10(7)3;1-8(2)7-9-3-5-10-6-4-9;1-7(2)6-8-4-3-5-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-6;1-4(2)6-5(3)7;1-4(2)3-5(6)7;1-5(2)6(3)4;1-5(2,3)4-6;1-4(2)3-5(6)7;1-3(2)4(5,6)7;1-4(2)3-5;1-3(2)4/h4-6,10,14H,1-3H3;8-10H,3-7H2,1-2H3,(H,12,14);3-6,8H,7H2,1-2H3;5-6,8,13H,7H2,1-4H3;8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9H,8H2,1-2H3;5-6H,3-4H2,1-2H3,(H,9,10,11);6-7H,4-5H2,1-3H3,(H,9,11);4-6,8,11H,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;2*3-5H,1-2H3,(H,7,8);5-6H,3-4H2,1-2H3;4H,1-3H3,(H,6,7);4H,3H2,1-2H3,(H2,6,7);5H,1-4H3;1-3H3;4H,3H2,1-2H3,(H,6,7);3H,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeySGPYDNNDXQGRNV-UHFFFAOYSA-N
XLogP37.25
TPSA568.17 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003354.98
LogP ≤ 537.25
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane with MolForge

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Related Compounds

1-benzyl-2-propan-2-ylpyrrolidine;tert-butyl 3,3-difluoro-5-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-methyl-3-propan-2-ylazetidine-1-carboxylate;tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl N-[(4-propan-2-yloxan-4-yl)methyl]carbamate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;1-methyl-4-(2-propan-2-yloxolan-2-yl)pyrazole;methyl 3-propan-2-ylpiperidine-1-carboxylate;4-phenyl-4-propan-2-yloxane;3-phenyl-3-propan-2-yloxetane;4-propan-2-yloxane-4-carbonitrile;1-(3-propan-2-ylpiperidin-1-yl)pentan-1-one;1-propan-2-ylpyrrolidin-3-ol;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrazine;3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine;2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine;4-propan-2-yl-4-(trifluoromethyl)oxane;1-[4-propan-2-yl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 159519216
CID 160458001
CID 160458001
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;(1-fluoro-2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
CID 162071486

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane (CID 160829641) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane is CC(=O)NC(C)C.CC(C)(C)C#N.CC(C)(C)C(O)c1cc(F)cc(F)c1.CC(C)C(=O)NC1CCCN(C)C1.CC(C)C(=O)NC1CN(C)C1.CC(C)C(=O)NC1CN2CCC1CC2.CC(C)C(=O)NCC1CCOCC1.CC(C)C(F)(F)F.CC(C)C(O)c1ccnn1C.CC(C)C1CC1.CC(C)CC(=O)O.CC(C)CC(N)=O.CC(C)CC1CCC1.CC(C)CN1CCOCC1.CC(C)CO.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)N(C)C.CC(C)N1CCOCC1.CC(C)O.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC(C)(C)O)c1.CC(C)c1n[nH]c(C2CC2)n1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
The InChIKey is SGPYDNNDXQGRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O.C11H20N2O.C10H13F.C10H18N2O.C10H20N2O.C10H19NO2.C10H14.C8H13N3.C8H16N2O.C8H14N2O.C8H17NO.C8H16.2C7H12N2.C7H15NO.2C6H10N2.C6H12.2C5H11NO.C5H13N.C5H9N.C5H10O2.C4H7F3.C4H10O.C3H8O/c1-11(2,3)10(14)7-4-8(12)6-9(13)5-7;1-8(2)11(14)12-10-7-13-5-3-9(10)4-6-13;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9-5-11-12(6-9)7-10(3,4)13;1-8(2)10(13)11-9-5-4-6-12(3)7-9;1-8(2)10(12)11-7-9-3-5-13-6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-5(2)7-9-8(11-10-7)6-3-4-6;1-6(2)8(11)9-7-4-10(3)5-7;1-6(2)8(11)7-4-5-9-10(7)3;1-8(2)7-9-3-5-10-6-4-9;1-7(2)6-8-4-3-5-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-6;1-4(2)6-5(3)7;1-4(2)3-5(6)7;1-5(2)6(3)4;1-5(2,3)4-6;1-4(2)3-5(6)7;1-3(2)4(5,6)7;1-4(2)3-5;1-3(2)4/h4-6,10,14H,1-3H3;8-10H,3-7H2,1-2H3,(H,12,14);3-6,8H,7H2,1-2H3;5-6,8,13H,7H2,1-4H3;8-9H,4-7H2,1-3H3,(H,11,13);8-9H,3-7H2,1-2H3,(H,11,12);3-7,9H,8H2,1-2H3;5-6H,3-4H2,1-2H3,(H,9,10,11);6-7H,4-5H2,1-3H3,(H,9,11);4-6,8,11H,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;2*3-5H,1-2H3,(H,7,8);5-6H,3-4H2,1-2H3;4H,1-3H3,(H,6,7);4H,3H2,1-2H3,(H2,6,7);5H,1-4H3;1-3H3;4H,3H2,1-2H3,(H,6,7);3H,1-2H3;4-5H,3H2,1-2H3;3-4H,1-2H3.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane has a molecular weight of 3354.98 g/mol, XLogP of 37.25, 38 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;1-(3,5-difluorophenyl)-2,2-dimethylpropan-1-ol;N,N-dimethylpropan-2-amine;2,2-dimethylpropanenitrile;1-fluoro-2-(2-methylpropyl)benzene;3-methylbutanamide;3-methylbutanoic acid;2-methyl-N-(1-methylazetidin-3-yl)propanamide;2-methyl-N-(1-methylpiperidin-3-yl)propanamide;2-methyl-1-(2-methylpyrazol-3-yl)propan-1-ol;2-methyl-N-(oxan-4-ylmethyl)propanamide;2-methylpropan-1-ol;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-1-(4-propan-2-ylpyrazol-1-yl)propan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;4-(2-methylpropyl)morpholine;propan-2-ol;N-propan-2-ylacetamide;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 160829641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).