1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline

C273H385N21O2S — CID 158450510

IUPAC1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline
SMILESC.C.C.C.C=CC(=O)N1CCC(C)(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)c1ccc(-n2nccn2)cc1.CC(C)c1ccc(C(C)(C)C#N)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(C)CCN(C3CC3)CC2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(C2CCN(C3CCCC3)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc2ncccc2c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cncc(C)c1
InChIInChI=1S/C19H29N.C18H25NO.C18H27N.C16H26N2.C14H22N2.C14H21N.C13H14N2.C13H17N.C13H20.C12H13NO.C12H13NS.C12H13N.C12H16.2C12H18.2C11H13N3.3C10H14.C7H9N.4CH4/c1-15(2)16-7-9-17(10-8-16)18-11-13-20(14-12-18)19-5-3-4-6-19;1-5-17(20)19-12-10-18(4,11-13-19)16-8-6-15(7-9-16)14(2)3;1-14(2)15-4-6-16(7-5-15)18(3)10-12-19(13-11-18)17-8-9-17;1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;2*1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-3-5-11(6-4-10)14-12-7-8-13-14;1-8(2)9-3-5-10(6-4-9)11-12-7-13-14-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6-3-7(2)5-8-4-6;;;;/h7-10,15,18-19H,3-6,11-14H2,1-2H3;5-9,14H,1,10-13H2,2-4H3;4-7,14,17H,8-13H2,1-3H3;5-8,13-14H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3;5-8,10H,1-4H3;6-10H,1-5H3;2*3-9H,1-2H3;3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;2*5-10H,1-4H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);3*4-8H,1-3H3;3-5H,1-2H3;4*1H4
InChIKeyHDXQTEDXVHUCLE-UHFFFAOYSA-N
MW4025.29 g/mol
LogP74.72
Rot. Bonds39

About 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline

1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline (PubChem CID 158450510) has the molecular formula C273H385N21O2S and a molecular weight of 4025.29 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline
PubChem CID158450510
Molecular FormulaC273H385N21O2S
Molecular Weight4025.29 g/mol
Exact Mass4022.04
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline
SMILESC.C.C.C.C=CC(=O)N1CCC(C)(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)c1ccc(-n2nccn2)cc1.CC(C)c1ccc(C(C)(C)C#N)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(C)CCN(C3CC3)CC2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(C2CCN(C3CCCC3)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc2ncccc2c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cncc(C)c1
InChIInChI=1S/C19H29N.C18H25NO.C18H27N.C16H26N2.C14H22N2.C14H21N.C13H14N2.C13H17N.C13H20.C12H13NO.C12H13NS.C12H13N.C12H16.2C12H18.2C11H13N3.3C10H14.C7H9N.4CH4/c1-15(2)16-7-9-17(10-8-16)18-11-13-20(14-12-18)19-5-3-4-6-19;1-5-17(20)19-12-10-18(4,11-13-19)16-8-6-15(7-9-16)14(2)3;1-14(2)15-4-6-16(7-5-15)18(3)10-12-19(13-11-18)17-8-9-17;1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;2*1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-3-5-11(6-4-10)14-12-7-8-13-14;1-8(2)9-3-5-10(6-4-9)11-12-7-13-14-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6-3-7(2)5-8-4-6;;;;/h7-10,15,18-19H,3-6,11-14H2,1-2H3;5-9,14H,1,10-13H2,2-4H3;4-7,14,17H,8-13H2,1-3H3;5-8,13-14H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3;5-8,10H,1-4H3;6-10H,1-5H3;2*3-9H,1-2H3;3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;2*5-10H,1-4H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);3*4-8H,1-3H3;3-5H,1-2H3;4*1H4
InChIKeyHDXQTEDXVHUCLE-UHFFFAOYSA-N
XLogP74.72
TPSA229.54 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds39
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004025.29
LogP ≤ 574.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline with MolForge

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Related Compounds

7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole
CID 157061828
cumene;7-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuran;bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;6-propan-2-ylindolizine;5-propan-2-yl-2H-isoindole;4-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;6-propan-2-ylquinoxaline;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
CID 157537436
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoxaline;6-tert-butylquinoxaline;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157765601
3-Cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(3-methyl-1,2,4-triazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 158087732
6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butyl-2-pyridin-3-yl-1,3-thiazole;1-ethyl-2-propan-2-ylindole-6-carbonitrile;methane;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;2-propan-2-yl-3H-benzimidazol-5-amine;7-propan-2-yl-4H-1,4-benzoxazin-3-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-5H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole
CID 158341449
cumene;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-ylquinoline;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-1,2,4-triazine
CID 158390410
CID 158580245
CID 158580245
CID 159014548
CID 159014548
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)-2,7-naphthyridin-1-amine;6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(1-methylpyrazol-3-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(1,3-oxazol-5-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(2H-tetrazol-5-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-2,7-naphthyridin-1-amine
CID 161231458
4-[[4-(1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine;6-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]diazenyl]isoquinolin-3-amine;6-methyl-4-[[4-(1,3-oxazol-2-yl)phenyl]diazenyl]isoquinolin-3-amine;6-methyl-4-[[4-(1H-pyrazol-4-yl)phenyl]diazenyl]isoquinolin-3-amine;6-methyl-4-[(4-pyrimidin-2-ylphenyl)diazenyl]isoquinolin-3-amine;6-methyl-4-[[4-(tetrazol-1-yl)phenyl]diazenyl]isoquinolin-3-amine;bis(6-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]diazenyl]isoquinolin-3-amine)
CID 161762128
6-(4-methylimidazol-1-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(1-methylpyrazol-3-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(1,3-oxazol-5-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(2H-tetrazol-5-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-2,7-naphthyridin-1-amine
CID 161854441
3-cyclopropyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;3-(1H-imidazol-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;3-methyl-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;3-(1,3-oxazol-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-phenyl-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 161867072

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline (CID 158450510) is 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline is C.C.C.C.C=CC(=O)N1CCC(C)(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2ncco2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)c1ccc(-n2nccn2)cc1.CC(C)c1ccc(C(C)(C)C#N)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(C)CCN(C3CC3)CC2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(C2CCN(C3CCCC3)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc2ncccc2c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cncc(C)c1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline?
The InChIKey is HDXQTEDXVHUCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N.C18H25NO.C18H27N.C16H26N2.C14H22N2.C14H21N.C13H14N2.C13H17N.C13H20.C12H13NO.C12H13NS.C12H13N.C12H16.2C12H18.2C11H13N3.3C10H14.C7H9N.4CH4/c1-15(2)16-7-9-17(10-8-16)18-11-13-20(14-12-18)19-5-3-4-6-19;1-5-17(20)19-12-10-18(4,11-13-19)16-8-6-15(7-9-16)14(2)3;1-14(2)15-4-6-16(7-5-15)18(3)10-12-19(13-11-18)17-8-9-17;1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;2*1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)10-3-5-11(6-4-10)12-7-8-12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)10-3-5-11(6-4-10)14-12-7-8-13-14;1-8(2)9-3-5-10(6-4-9)11-12-7-13-14-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6-3-7(2)5-8-4-6;;;;/h7-10,15,18-19H,3-6,11-14H2,1-2H3;5-9,14H,1,10-13H2,2-4H3;4-7,14,17H,8-13H2,1-3H3;5-8,13-14H,9-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;6-9,12H,3-5,10-11H2,1-2H3;3-10H,1-2H3;5-8,10H,1-4H3;6-10H,1-5H3;2*3-9H,1-2H3;3-9H,1-2H3;3-6,9,12H,7-8H2,1-2H3;2*5-10H,1-4H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);3*4-8H,1-3H3;3-5H,1-2H3;4*1H4.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline?
1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline has a molecular weight of 4025.29 g/mol, XLogP of 74.72, 39 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;1-cyclopentyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-methyl-4-(4-propan-2-ylphenyl)piperidine;1-cyclopropyl-4-propan-2-ylbenzene;3,5-dimethylpyridine;bis(1,4-di(propan-2-yl)benzene);methane;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-[4-methyl-4-(4-propan-2-ylphenyl)piperidin-1-yl]prop-2-en-1-one;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;2-(4-propan-2-ylphenyl)-1,3-oxazole;1-(4-propan-2-ylphenyl)piperidine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(4-propan-2-ylphenyl)triazole;5-(4-propan-2-ylphenyl)-1H-1,2,4-triazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;6-propan-2-ylquinoline is sourced from PubChem (CID 158450510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).