N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)

C268H525N25O16S5 — CID 158050218

IUPACN-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)
SMILESC.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)C(=O)N(C)Cc1ccccc1.CC(C)C(=O)N1CCOCC1.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C1COC1.CC(C)C(C)C.CC(C)C(C)C#N.CC(C)C(N)=O.CC(C)C1(C)CC1.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CC(C)CC#N.CC(C)N(C)S(C)(=O)=O.CC(C)N(C)c1cccnc1.CC(C)N1CCCCS1(=O)=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCOC1=O.CC(C)Nc1cccnc1.CC(C)S(=O)(=O)C1CC1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1nncs1.CC1CCN(C(C)C)C1=O.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C
InChIInChI=1S/C12H17NO.C10H20.2C10H14.C9H14N2.2C9H13N.C9H18O.C9H18.2C8H12N2.C8H15NO2.C8H15NO.C8H11N.C8H16.C7H12N2.C7H10N2.C7H15NO2S.2C7H14.4C7H16.C6H13NO2S.C6H11NO2.C6H11N.C6H12O2S.C6H14.C5H8N2S.C5H13NO2S.C5H9N.C4H9NO.5C2H6.11CH4/c1-10(2)12(14)13(3)9-11-7-5-4-6-8-11;1-9(2)10(3)7-5-4-6-8-10;2*1-8(2)10-7-5-4-6-9(10)3;1-8(2)11(3)9-5-4-6-10-7-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9(3,4)8-5-10-6-8;1-8(2)9(3)6-4-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)8(10)9-3-5-11-6-4-9;1-6(2)9-5-4-7(3)8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8(3)5-4-6-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-9-7;1-7(2)8-5-3-4-6-11(8,9)10;2*1-6(2)7(3)4-5-7;4*1-6(2)7(3,4)5;1-6(2)7-4-3-5-10(7,8)9;1-5(2)7-3-4-9-6(7)8;1-5(2)6(3)4-7;1-5(2)9(7,8)6-3-4-6;1-5(2)6(3)4;1-4(2)5-7-6-3-8-5;1-5(2)6(3)9(4,7)8;1-5(2)3-4-6;1-3(2)4(5)6;5*1-2;;;;;;;;;;;/h4-8,10H,9H2,1-3H3;9H,4-8H2,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;3-7,10H,1-2H3;7H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;7H,3-6H2,1-2H3;2*6H,4-5H2,1-3H3;4*6H,1-5H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;5-6H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;3-4H,1-2H3;5H,1-4H3;5H,3H2,1-2H3;3H,1-2H3,(H2,5,6);5*1-2H3;11*1H4
InChIKeyFJJRTNIRLZIAFT-UHFFFAOYSA-N
MW4514.64 g/mol
LogP76.97
Rot. Bonds36

About N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)

N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane) (PubChem CID 158050218) has the molecular formula C268H525N25O16S5 and a molecular weight of 4514.64 g/mol. Its IUPAC name is N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane).

Molecular Properties

Compound NameN-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)
PubChem CID158050218
Molecular FormulaC268H525N25O16S5
Molecular Weight4514.64 g/mol
Exact Mass4510.96
IUPAC NameN-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)
SMILESC.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)C(=O)N(C)Cc1ccccc1.CC(C)C(=O)N1CCOCC1.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C1COC1.CC(C)C(C)C.CC(C)C(C)C#N.CC(C)C(N)=O.CC(C)C1(C)CC1.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CC(C)CC#N.CC(C)N(C)S(C)(=O)=O.CC(C)N(C)c1cccnc1.CC(C)N1CCCCS1(=O)=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCOC1=O.CC(C)Nc1cccnc1.CC(C)S(=O)(=O)C1CC1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1nncs1.CC1CCN(C(C)C)C1=O.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C
InChIInChI=1S/C12H17NO.C10H20.2C10H14.C9H14N2.2C9H13N.C9H18O.C9H18.2C8H12N2.C8H15NO2.C8H15NO.C8H11N.C8H16.C7H12N2.C7H10N2.C7H15NO2S.2C7H14.4C7H16.C6H13NO2S.C6H11NO2.C6H11N.C6H12O2S.C6H14.C5H8N2S.C5H13NO2S.C5H9N.C4H9NO.5C2H6.11CH4/c1-10(2)12(14)13(3)9-11-7-5-4-6-8-11;1-9(2)10(3)7-5-4-6-8-10;2*1-8(2)10-7-5-4-6-9(10)3;1-8(2)11(3)9-5-4-6-10-7-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9(3,4)8-5-10-6-8;1-8(2)9(3)6-4-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)8(10)9-3-5-11-6-4-9;1-6(2)9-5-4-7(3)8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8(3)5-4-6-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-9-7;1-7(2)8-5-3-4-6-11(8,9)10;2*1-6(2)7(3)4-5-7;4*1-6(2)7(3,4)5;1-6(2)7-4-3-5-10(7,8)9;1-5(2)7-3-4-9-6(7)8;1-5(2)6(3)4-7;1-5(2)9(7,8)6-3-4-6;1-5(2)6(3)4;1-4(2)5-7-6-3-8-5;1-5(2)6(3)9(4,7)8;1-5(2)3-4-6;1-3(2)4(5)6;5*1-2;;;;;;;;;;;/h4-8,10H,9H2,1-3H3;9H,4-8H2,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;3-7,10H,1-2H3;7H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;7H,3-6H2,1-2H3;2*6H,4-5H2,1-3H3;4*6H,1-5H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;5-6H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;3-4H,1-2H3;5H,1-4H3;5H,3H2,1-2H3;3H,1-2H3,(H2,5,6);5*1-2H3;11*1H4
InChIKeyFJJRTNIRLZIAFT-UHFFFAOYSA-N
XLogP76.97
TPSA520.76 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004514.64
LogP ≤ 576.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)?
The IUPAC name of N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane) (CID 158050218) is N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane).
What is the SMILES notation for N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)?
The canonical SMILES for N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane) is C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)C(=O)N(C)Cc1ccccc1.CC(C)C(=O)N1CCOCC1.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)C1COC1.CC(C)C(C)C.CC(C)C(C)C#N.CC(C)C(N)=O.CC(C)C1(C)CC1.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CC(C)CC#N.CC(C)N(C)S(C)(=O)=O.CC(C)N(C)c1cccnc1.CC(C)N1CCCCS1(=O)=O.CC(C)N1CCCS1(=O)=O.CC(C)N1CCOC1=O.CC(C)Nc1cccnc1.CC(C)S(=O)(=O)C1CC1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1nncs1.CC1CCN(C(C)C)C1=O.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccncc1C(C)C.
What is the InChIKey of N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)?
The InChIKey is FJJRTNIRLZIAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C10H20.2C10H14.C9H14N2.2C9H13N.C9H18O.C9H18.2C8H12N2.C8H15NO2.C8H15NO.C8H11N.C8H16.C7H12N2.C7H10N2.C7H15NO2S.2C7H14.4C7H16.C6H13NO2S.C6H11NO2.C6H11N.C6H12O2S.C6H14.C5H8N2S.C5H13NO2S.C5H9N.C4H9NO.5C2H6.11CH4/c1-10(2)12(14)13(3)9-11-7-5-4-6-8-11;1-9(2)10(3)7-5-4-6-8-10;2*1-8(2)10-7-5-4-6-9(10)3;1-8(2)11(3)9-5-4-6-10-7-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9(3,4)8-5-10-6-8;1-8(2)9(3)6-4-5-7-9;1-6(2)8-5-4-7(3)9-10-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)8(10)9-3-5-11-6-4-9;1-6(2)9-5-4-7(3)8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8(3)5-4-6-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-9-7;1-7(2)8-5-3-4-6-11(8,9)10;2*1-6(2)7(3)4-5-7;4*1-6(2)7(3,4)5;1-6(2)7-4-3-5-10(7,8)9;1-5(2)7-3-4-9-6(7)8;1-5(2)6(3)4-7;1-5(2)9(7,8)6-3-4-6;1-5(2)6(3)4;1-4(2)5-7-6-3-8-5;1-5(2)6(3)9(4,7)8;1-5(2)3-4-6;1-3(2)4(5)6;5*1-2;;;;;;;;;;;/h4-8,10H,9H2,1-3H3;9H,4-8H2,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;3-7,10H,1-2H3;7H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;3-7H,1-2H3;7H,4-6H2,1-3H3;4-6H,1-3H3;3-6H,1-2H3;7H,3-6H2,1-2H3;2*6H,4-5H2,1-3H3;4*6H,1-5H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;5-6H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;3-4H,1-2H3;5H,1-4H3;5H,3H2,1-2H3;3H,1-2H3,(H2,5,6);5*1-2H3;11*1H4.
What are the key properties of N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane)?
N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane) has a molecular weight of 4514.64 g/mol, XLogP of 76.97, 36 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethylpropanamide;2,3-dimethylbutane;2,3-dimethylbutanenitrile;3-(2,3-dimethylbutan-2-yl)oxetane;ethane;methane;3-methylbutanenitrile;2-methyl-1-morpholin-4-ylpropan-1-one;2-methylpropanamide;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;bis(1-methyl-1-propan-2-ylcyclopropane);N-methyl-N-propan-2-ylmethanesulfonamide;1-methyl-5-propan-2-ylpyrazole;3-methyl-6-propan-2-ylpyridazine;N-methyl-N-propan-2-ylpyridin-3-amine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-methyl-1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-1,3-oxazolidin-2-one;N-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;propan-2-ylsulfonylcyclopropane;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiazinane 1,1-dioxide;2-propan-2-yl-1,2-thiazolidine 1,1-dioxide;tetrakis(2,2,3-trimethylbutane) is sourced from PubChem (CID 158050218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).