2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene

C141H210N18O4S2 — CID 160798342

IUPAC2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene
SMILESCC(C)N1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C(=O)C(C)(C)C)c2ccccc21.CC(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCNc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnn1C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C16H24N2O.2C12H15N.2C12H17N.C11H18N4.C11H16N2.C10H12O2.C8H14N2.C8H13NS.C8H17N.C7H12N2.C7H10O.C7H10S/c1-12(2)17-10-11-18(15(19)16(3,4)5)14-9-7-6-8-13(14)17;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-9(2)13-8-7-12-10-5-3-4-6-11(10)13;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-4-3-5-8-7/h6-9,12H,10-11H2,1-5H3;2*4-9H,1-3H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-5,7H,6H2,1-2H3;5H,1-4H3,(H,9,10);5H,1-4H3;8H,3-7H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3
InChIKeySCSROXMQFRCVFY-UHFFFAOYSA-N
MW2285.49 g/mol
LogP34.80
Rot. Bonds15

About 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene

2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene (PubChem CID 160798342) has the molecular formula C141H210N18O4S2 and a molecular weight of 2285.49 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene
PubChem CID160798342
Molecular FormulaC141H210N18O4S2
Molecular Weight2285.49 g/mol
Exact Mass2283.62
IUPAC Name2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene
SMILESCC(C)N1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C(=O)C(C)(C)C)c2ccccc21.CC(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCNc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnn1C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C16H24N2O.2C12H15N.2C12H17N.C11H18N4.C11H16N2.C10H12O2.C8H14N2.C8H13NS.C8H17N.C7H12N2.C7H10O.C7H10S/c1-12(2)17-10-11-18(15(19)16(3,4)5)14-9-7-6-8-13(14)17;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-9(2)13-8-7-12-10-5-3-4-6-11(10)13;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-4-3-5-8-7/h6-9,12H,10-11H2,1-5H3;2*4-9H,1-3H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-5,7H,6H2,1-2H3;5H,1-4H3,(H,9,10);5H,1-4H3;8H,3-7H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3
InChIKeySCSROXMQFRCVFY-UHFFFAOYSA-N
XLogP34.80
TPSA181.65 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002285.49
LogP ≤ 534.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
3-tert-butylbenzenesulfonamide;6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157261216
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157858393
3-tert-butylbenzenesulfonamide;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-2H-isoindole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene;1,2-difluoro-4-methylbenzene;6-methyl-1H-benzimidazole;5-methyl-1H-indazole
CID 158340957
3-tert-butylbenzenesulfonamide;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-2H-isoindole;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;2-tert-butyl-4-methylfuran;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene;1,2-difluoro-4-methylbenzene;6-methyl-1H-benzimidazole;5-methyl-1H-indazole
CID 158611058
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
CID 160480768
CID 160480768
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 161420728
2,2-Difluoro-4-methyl-1,3-benzodioxole;1,6-dimethylpyrazolo[4,5-c]pyridine;7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylfuran;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylindazole;1-methylpyridin-2-one;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 162180057
1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
5-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157085276
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclopenta-1,3-diene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-1H-imidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;5-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthiophene;2-tert-butyl-1,3,5-triazine;2,2-dimethylpropylbenzene;ethane
CID 157153880

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene?
The IUPAC name of 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene (CID 160798342) is 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene.
What is the SMILES notation for 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene?
The canonical SMILES for 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene is CC(C)N1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C(=O)C(C)(C)C)c2ccccc21.CC(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCNc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2ccn(C)c12.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnn1C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C)c(C(C)C)s1.
What is the InChIKey of 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene?
The InChIKey is SCSROXMQFRCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.2C12H15N.2C12H17N.C11H18N4.C11H16N2.C10H12O2.C8H14N2.C8H13NS.C8H17N.C7H12N2.C7H10O.C7H10S/c1-12(2)17-10-11-18(15(19)16(3,4)5)14-9-7-6-8-13(14)17;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-9(2)13-8-7-12-10-5-3-4-6-11(10)13;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-4-3-5-8-7/h6-9,12H,10-11H2,1-5H3;2*4-9H,1-3H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-5,7H,6H2,1-2H3;5H,1-4H3,(H,9,10);5H,1-4H3;8H,3-7H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3.
What are the key properties of 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene?
2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene has a molecular weight of 2285.49 g/mol, XLogP of 34.80, 15 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;2-propan-2-ylfuran;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-ylpiperidine;2-propan-2-ylthiophene is sourced from PubChem (CID 160798342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).