7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine

C231H348N32O2S — CID 158908693

IUPAC7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine
SMILESCCC(C)C1CCN(C)C1.CCC(C)C1CCN(C)CC1.CCC(C)CN1CCN(C)CC1.CCC(C)c1cc[nH]c1.CCC(C)c1ccc[nH]1.CCC(C)c1cccc2[nH]ccc12.CCC(C)c1cccc2c1CC(N(C)C)=N2.CCC(C)c1cccc2c1CC=N2.CCC(C)c1cccc2cnccc12.CCC(C)c1cccc2ncccc12.CCC(C)c1cccc2ncsc12.CCC(C)c1cccnc1.CCC(C)c1ccn[nH]1.CCC(C)c1ccnc2ccccc12.CCC(C)c1ccncc1.CCC(C)c1ccncn1.CCC(C)c1ccnnc1.CCC(C)c1cnc[nH]1.CCC(C)c1cncc2ccccc12.CCC(C)c1cnccn1.CCC(C)c1cnco1.CCC(C)c1ncc[nH]1.CCC(C)c1ncco1.CCC1CN(C)CC1C
InChIInChI=1S/C14H20N2.4C13H15N.2C12H15N.C11H13NS.C10H22N2.C10H21N.C9H19N.2C9H13N.3C8H12N2.C8H17N.2C8H13N.3C7H12N2.2C7H11NO/c1-5-10(2)11-7-6-8-13-12(11)9-14(15-13)16(3)4;1-3-10(2)11-6-4-8-13-12(11)7-5-9-14-13;1-3-10(2)12-6-4-5-11-9-14-8-7-13(11)12;1-3-10(2)13-9-14-8-11-6-4-5-7-12(11)13;1-3-10(2)11-8-9-14-13-7-5-4-6-12(11)13;2*1-3-9(2)10-5-4-6-12-11(10)7-8-13-12;1-3-8(2)9-5-4-6-10-11(9)13-7-12-10;1-4-10(2)9-12-7-5-11(3)6-8-12;1-4-9(2)10-5-7-11(3)8-6-10;1-4-8(2)9-5-6-10(3)7-9;1-3-8(2)9-4-6-10-7-5-9;1-3-8(2)9-5-4-6-10-7-9;1-3-7(2)8-6-9-4-5-10-8;1-3-7(2)8-4-5-9-6-10-8;1-3-7(2)8-4-5-9-10-6-8;1-4-8-6-9(3)5-7(8)2;1-3-7(2)8-4-5-9-6-8;1-3-7(2)8-5-4-6-9-8;1-3-6(2)7-4-8-5-9-7;1-3-6(2)7-8-4-5-9-7;1-3-6(2)7-4-5-8-9-7;1-3-6(2)7-4-8-5-9-7;1-3-6(2)7-8-4-5-9-7/h6-8,10H,5,9H2,1-4H3;4*4-10H,3H2,1-2H3;4-6,8-9H,3,7H2,1-2H3;4-9,13H,3H2,1-2H3;4-8H,3H2,1-2H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*4-8H,3H2,1-2H3;3*4-7H,3H2,1-2H3;7-8H,4-6H2,1-3H3;2*4-7,9H,3H2,1-2H3;3*4-6H,3H2,1-2H3,(H,8,9);2*4-6H,3H2,1-2H3
InChIKeyJGJHGLPARFIADI-UHFFFAOYSA-N
MW3637.61 g/mol
LogP62.89
Rot. Bonds48

About 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine

7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine (PubChem CID 158908693) has the molecular formula C231H348N32O2S and a molecular weight of 3637.61 g/mol. Its IUPAC name is 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine
PubChem CID158908693
Molecular FormulaC231H348N32O2S
Molecular Weight3637.61 g/mol
Exact Mass3634.78
IUPAC Name7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine
SMILESCCC(C)C1CCN(C)C1.CCC(C)C1CCN(C)CC1.CCC(C)CN1CCN(C)CC1.CCC(C)c1cc[nH]c1.CCC(C)c1ccc[nH]1.CCC(C)c1cccc2[nH]ccc12.CCC(C)c1cccc2c1CC(N(C)C)=N2.CCC(C)c1cccc2c1CC=N2.CCC(C)c1cccc2cnccc12.CCC(C)c1cccc2ncccc12.CCC(C)c1cccc2ncsc12.CCC(C)c1cccnc1.CCC(C)c1ccn[nH]1.CCC(C)c1ccnc2ccccc12.CCC(C)c1ccncc1.CCC(C)c1ccncn1.CCC(C)c1ccnnc1.CCC(C)c1cnc[nH]1.CCC(C)c1cncc2ccccc12.CCC(C)c1cnccn1.CCC(C)c1cnco1.CCC(C)c1ncc[nH]1.CCC(C)c1ncco1.CCC1CN(C)CC1C
InChIInChI=1S/C14H20N2.4C13H15N.2C12H15N.C11H13NS.C10H22N2.C10H21N.C9H19N.2C9H13N.3C8H12N2.C8H17N.2C8H13N.3C7H12N2.2C7H11NO/c1-5-10(2)11-7-6-8-13-12(11)9-14(15-13)16(3)4;1-3-10(2)11-6-4-8-13-12(11)7-5-9-14-13;1-3-10(2)12-6-4-5-11-9-14-8-7-13(11)12;1-3-10(2)13-9-14-8-11-6-4-5-7-12(11)13;1-3-10(2)11-8-9-14-13-7-5-4-6-12(11)13;2*1-3-9(2)10-5-4-6-12-11(10)7-8-13-12;1-3-8(2)9-5-4-6-10-11(9)13-7-12-10;1-4-10(2)9-12-7-5-11(3)6-8-12;1-4-9(2)10-5-7-11(3)8-6-10;1-4-8(2)9-5-6-10(3)7-9;1-3-8(2)9-4-6-10-7-5-9;1-3-8(2)9-5-4-6-10-7-9;1-3-7(2)8-6-9-4-5-10-8;1-3-7(2)8-4-5-9-6-10-8;1-3-7(2)8-4-5-9-10-6-8;1-4-8-6-9(3)5-7(8)2;1-3-7(2)8-4-5-9-6-8;1-3-7(2)8-5-4-6-9-8;1-3-6(2)7-4-8-5-9-7;1-3-6(2)7-8-4-5-9-7;1-3-6(2)7-4-5-8-9-7;1-3-6(2)7-4-8-5-9-7;1-3-6(2)7-8-4-5-9-7/h6-8,10H,5,9H2,1-4H3;4*4-10H,3H2,1-2H3;4-6,8-9H,3,7H2,1-2H3;4-9,13H,3H2,1-2H3;4-8H,3H2,1-2H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*4-8H,3H2,1-2H3;3*4-7H,3H2,1-2H3;7-8H,4-6H2,1-3H3;2*4-7,9H,3H2,1-2H3;3*4-6H,3H2,1-2H3,(H,8,9);2*4-6H,3H2,1-2H3
InChIKeyJGJHGLPARFIADI-UHFFFAOYSA-N
XLogP62.89
TPSA397.20 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds48
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003637.61
LogP ≤ 562.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-hydroxy-1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)ethanone;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157791472
2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-hydroxy-1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)ethanone;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158733170
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161770467
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
CID 167631189
CID 167631189
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
CID 141050919
2-[1-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-8-pyrimidin-2-yl-6-quinolin-2-yl-7-(1,3-thiazol-2-yl)-2H-quinazolin-2-yl]-1,3-oxazole
CID 141144443
acridine;1H-imidazole;isoquinoline;1,3-oxazole;phenazine;pyrazine;1H-pyrazole;pyridazine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;thiophene
CID 157082421
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
5-methyl-1H-imidazole;4-methylisoquinoline;5-methylisoquinoline;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);4-methylquinoline;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 157174574
3,5-dimethylpyridin-2-amine;4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;5-methyl-1H-pyrazol-3-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 157196924
propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole
CID 157220401

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine?
The IUPAC name of 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine (CID 158908693) is 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine.
What is the SMILES notation for 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine?
The canonical SMILES for 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine is CCC(C)C1CCN(C)C1.CCC(C)C1CCN(C)CC1.CCC(C)CN1CCN(C)CC1.CCC(C)c1cc[nH]c1.CCC(C)c1ccc[nH]1.CCC(C)c1cccc2[nH]ccc12.CCC(C)c1cccc2c1CC(N(C)C)=N2.CCC(C)c1cccc2c1CC=N2.CCC(C)c1cccc2cnccc12.CCC(C)c1cccc2ncccc12.CCC(C)c1cccc2ncsc12.CCC(C)c1cccnc1.CCC(C)c1ccn[nH]1.CCC(C)c1ccnc2ccccc12.CCC(C)c1ccncc1.CCC(C)c1ccncn1.CCC(C)c1ccnnc1.CCC(C)c1cnc[nH]1.CCC(C)c1cncc2ccccc12.CCC(C)c1cnccn1.CCC(C)c1cnco1.CCC(C)c1ncc[nH]1.CCC(C)c1ncco1.CCC1CN(C)CC1C.
What is the InChIKey of 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine?
The InChIKey is JGJHGLPARFIADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.4C13H15N.2C12H15N.C11H13NS.C10H22N2.C10H21N.C9H19N.2C9H13N.3C8H12N2.C8H17N.2C8H13N.3C7H12N2.2C7H11NO/c1-5-10(2)11-7-6-8-13-12(11)9-14(15-13)16(3)4;1-3-10(2)11-6-4-8-13-12(11)7-5-9-14-13;1-3-10(2)12-6-4-5-11-9-14-8-7-13(11)12;1-3-10(2)13-9-14-8-11-6-4-5-7-12(11)13;1-3-10(2)11-8-9-14-13-7-5-4-6-12(11)13;2*1-3-9(2)10-5-4-6-12-11(10)7-8-13-12;1-3-8(2)9-5-4-6-10-11(9)13-7-12-10;1-4-10(2)9-12-7-5-11(3)6-8-12;1-4-9(2)10-5-7-11(3)8-6-10;1-4-8(2)9-5-6-10(3)7-9;1-3-8(2)9-4-6-10-7-5-9;1-3-8(2)9-5-4-6-10-7-9;1-3-7(2)8-6-9-4-5-10-8;1-3-7(2)8-4-5-9-6-10-8;1-3-7(2)8-4-5-9-10-6-8;1-4-8-6-9(3)5-7(8)2;1-3-7(2)8-4-5-9-6-8;1-3-7(2)8-5-4-6-9-8;1-3-6(2)7-4-8-5-9-7;1-3-6(2)7-8-4-5-9-7;1-3-6(2)7-4-5-8-9-7;1-3-6(2)7-4-8-5-9-7;1-3-6(2)7-8-4-5-9-7/h6-8,10H,5,9H2,1-4H3;4*4-10H,3H2,1-2H3;4-6,8-9H,3,7H2,1-2H3;4-9,13H,3H2,1-2H3;4-8H,3H2,1-2H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;2*4-8H,3H2,1-2H3;3*4-7H,3H2,1-2H3;7-8H,4-6H2,1-3H3;2*4-7,9H,3H2,1-2H3;3*4-6H,3H2,1-2H3,(H,8,9);2*4-6H,3H2,1-2H3.
What are the key properties of 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine?
7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine has a molecular weight of 3637.61 g/mol, XLogP of 62.89, 48 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-1,3-benzothiazole;4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine;2-butan-2-yl-1H-imidazole;5-butan-2-yl-1H-imidazole;4-butan-2-yl-1H-indole;4-butan-2-yl-3H-indole;4-butan-2-ylisoquinoline;5-butan-2-ylisoquinoline;4-butan-2-yl-1-methylpiperidine;3-butan-2-yl-1-methylpyrrolidine;2-butan-2-yl-1,3-oxazole;5-butan-2-yl-1,3-oxazole;2-butan-2-ylpyrazine;5-butan-2-yl-1H-pyrazole;4-butan-2-ylpyridazine;3-butan-2-ylpyridine;4-butan-2-ylpyridine;4-butan-2-ylpyrimidine;2-butan-2-yl-1H-pyrrole;3-butan-2-yl-1H-pyrrole;4-butan-2-ylquinoline;5-butan-2-ylquinoline;3-ethyl-1,4-dimethylpyrrolidine;1-methyl-4-(2-methylbutyl)piperazine is sourced from PubChem (CID 158908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).