N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one

C205H256FN13O4S8 — CID 159003111

About N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one

N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one (PubChem CID 159003111) has the molecular formula C205H256FN13O4S8 and a molecular weight of 3241.92 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one.

Molecular Properties

• Compound Name: N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one
• PubChem CID: 159003111
• Molecular Formula: C205H256FN13O4S8
• Molecular Weight: 3241.92 g/mol
• Exact Mass: 3238.80
• IUPAC Name: N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one
• SMILES: CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1csc2ccccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1ccc(=O)n(C)c1C.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1
• InChI: InChI=1S/C12H15NO.2C12H14O.3C12H16.2C11H13NS.C11H15N.2C11H12S.C10H14FN.C10H16N2.4C10H11NS.C10H15N.C8H11NO/c1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-4-10-9(8(2)3)6-5-7-11-10;1-6-4-5-8(10)9(3)7(6)2/h4-6,8H,7H2,1-3H3;2*3-5,8H,6-7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;2*3-8H,1-2H3;5-7H,4H2,1-3H3;5-8H,1-4H3;4*3-7H,1-2H3;5-8H,4H2,1-3H3;4-5H,1-3H3
• InChIKey: JROURMXNKZBDLB-UHFFFAOYSA-N
• XLogP: 59.08
• TPSA: 207.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3241.92
LogP ≤ 5	59.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one?

The IUPAC name of N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one (CID 159003111) is N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one.

What is the SMILES notation for N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one?

The canonical SMILES for N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one is CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1csc2ccccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1ccc(=O)n(C)c1C.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1.

What is the InChIKey of N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one?

The InChIKey is JROURMXNKZBDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.2C12H14O.3C12H16.2C11H13NS.C11H15N.2C11H12S.C10H14FN.C10H16N2.4C10H11NS.C10H15N.C8H11NO/c1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-4-10-9(8(2)3)6-5-7-11-10;1-6-4-5-8(10)9(3)7(6)2/h4-6,8H,7H2,1-3H3;2*3-5,8H,6-7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;2*3-8H,1-2H3;5-7H,4H2,1-3H3;5-8H,1-4H3;4*3-7H,1-2H3;5-8H,4H2,1-3H3;4-5H,1-3H3.

What are the key properties of N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one?

N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one has a molecular weight of 3241.92 g/mol, XLogP of 59.08, 21 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one is sourced from PubChem (CID 159003111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).