4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline

C86H106N8O4 — CID 159154681

IUPAC4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline
SMILESCC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccnc2c1.CCc1ccnc(C(C)C)c1
InChIInChI=1S/C12H15N.C11H12N2.2C11H13N.C11H14O2.C10H12N2.C10H15N.C10H12O2/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-9-5-6-11-10(7-9)8(2)3;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;3-8H,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3
InChIKeyKJSUWEUOQUMCRT-UHFFFAOYSA-N
MW1315.85 g/mol
LogP23.21
Rot. Bonds9

About 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline

4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline (PubChem CID 159154681) has the molecular formula C86H106N8O4 and a molecular weight of 1315.85 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Name4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline
PubChem CID159154681
Molecular FormulaC86H106N8O4
Molecular Weight1315.85 g/mol
Exact Mass1314.83
IUPAC Name4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline
SMILESCC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccnc2c1.CCc1ccnc(C(C)C)c1
InChIInChI=1S/C12H15N.C11H12N2.2C11H13N.C11H14O2.C10H12N2.C10H15N.C10H12O2/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-9-5-6-11-10(7-9)8(2)3;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;3-8H,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3
InChIKeyKJSUWEUOQUMCRT-UHFFFAOYSA-N
XLogP23.21
TPSA140.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001315.85
LogP ≤ 523.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?
The IUPAC name of 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline (CID 159154681) is 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline.
What is the SMILES notation for 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?
The canonical SMILES for 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline is CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nccnc2c1.CCc1ccnc(C(C)C)c1.
What is the InChIKey of 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?
The InChIKey is KJSUWEUOQUMCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H12N2.2C11H13N.C11H14O2.C10H12N2.C10H15N.C10H12O2/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-4-9-5-6-11-10(7-9)8(2)3;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;3-8H,1-2H3;2*3-8,12H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12);5-8H,4H2,1-3H3;3-5,7H,6H2,1-2H3.
What are the key properties of 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline?
4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline has a molecular weight of 1315.85 g/mol, XLogP of 23.21, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-ylpyridine;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline is sourced from PubChem (CID 159154681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).