2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine

C159H203N19O2S — CID 160966647

IUPAC2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine
SMILESCC(C)c1ccccn1.CC(c1ccccn1)c1ccccn1.CC1CCCc2cccnc21.CC1CCOc2cccnc21.CC1CCSc2cccnc21.CCC(C)c1ccccn1.CCc1ccc2ccccc2n1.CCc1ccccn1.CCc1nccc2ccccc12.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.COCC(C)c1ccccn1
InChIInChI=1S/C12H12N2.2C11H11N.C10H13N.C9H11NO.C9H13NO.C9H11NS.C9H13N.9C8H11N.C7H9N/c1-10(11-6-2-4-8-13-11)12-7-3-5-9-14-12;1-2-11-10-6-4-3-5-9(10)7-8-12-11;1-2-10-8-7-9-5-3-4-6-11(9)12-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-4-6-11-8-3-2-5-10-9(7)8;1-8(7-11-2)9-5-3-4-6-10-9;1-7-4-6-11-8-3-2-5-10-9(7)8;1-3-8(2)9-6-4-5-7-10-9;1-7(2)8-5-3-4-6-9-8;8*1-3-8-7(2)5-4-6-9-8;1-2-7-5-3-4-6-8-7/h2-10H,1H3;2*3-8H,2H2,1H3;3,6-8H,2,4-5H2,1H3;2-3,5,7H,4,6H2,1H3;3-6,8H,7H2,1-2H3;2-3,5,7H,4,6H2,1H3;4-8H,3H2,1-2H3;3-7H,1-2H3;8*4-6H,3H2,1-2H3;3-6H,2H2,1H3
InChIKeySXSCVWFPPSDXNX-UHFFFAOYSA-N
MW2444.57 g/mol
LogP39.29
Rot. Bonds19

About 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine

2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine (PubChem CID 160966647) has the molecular formula C159H203N19O2S and a molecular weight of 2444.57 g/mol. Its IUPAC name is 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine.

Molecular Properties

Compound Name2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine
PubChem CID160966647
Molecular FormulaC159H203N19O2S
Molecular Weight2444.57 g/mol
Exact Mass2442.61
IUPAC Name2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine
SMILESCC(C)c1ccccn1.CC(c1ccccn1)c1ccccn1.CC1CCCc2cccnc21.CC1CCOc2cccnc21.CC1CCSc2cccnc21.CCC(C)c1ccccn1.CCc1ccc2ccccc2n1.CCc1ccccn1.CCc1nccc2ccccc12.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.COCC(C)c1ccccn1
InChIInChI=1S/C12H12N2.2C11H11N.C10H13N.C9H11NO.C9H13NO.C9H11NS.C9H13N.9C8H11N.C7H9N/c1-10(11-6-2-4-8-13-11)12-7-3-5-9-14-12;1-2-11-10-6-4-3-5-9(10)7-8-12-11;1-2-10-8-7-9-5-3-4-6-11(9)12-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-4-6-11-8-3-2-5-10-9(7)8;1-8(7-11-2)9-5-3-4-6-10-9;1-7-4-6-11-8-3-2-5-10-9(7)8;1-3-8(2)9-6-4-5-7-10-9;1-7(2)8-5-3-4-6-9-8;8*1-3-8-7(2)5-4-6-9-8;1-2-7-5-3-4-6-8-7/h2-10H,1H3;2*3-8H,2H2,1H3;3,6-8H,2,4-5H2,1H3;2-3,5,7H,4,6H2,1H3;3-6,8H,7H2,1-2H3;2-3,5,7H,4,6H2,1H3;4-8H,3H2,1-2H3;3-7H,1-2H3;8*4-6H,3H2,1-2H3;3-6H,2H2,1H3
InChIKeySXSCVWFPPSDXNX-UHFFFAOYSA-N
XLogP39.29
TPSA263.37 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.57
LogP ≤ 539.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine?
The IUPAC name of 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine (CID 160966647) is 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine.
What is the SMILES notation for 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine?
The canonical SMILES for 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine is CC(C)c1ccccn1.CC(c1ccccn1)c1ccccn1.CC1CCCc2cccnc21.CC1CCOc2cccnc21.CC1CCSc2cccnc21.CCC(C)c1ccccn1.CCc1ccc2ccccc2n1.CCc1ccccn1.CCc1nccc2ccccc12.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.CCc1ncccc1C.COCC(C)c1ccccn1.
What is the InChIKey of 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine?
The InChIKey is SXSCVWFPPSDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C11H11N.C10H13N.C9H11NO.C9H13NO.C9H11NS.C9H13N.9C8H11N.C7H9N/c1-10(11-6-2-4-8-13-11)12-7-3-5-9-14-12;1-2-11-10-6-4-3-5-9(10)7-8-12-11;1-2-10-8-7-9-5-3-4-6-11(9)12-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-4-6-11-8-3-2-5-10-9(7)8;1-8(7-11-2)9-5-3-4-6-10-9;1-7-4-6-11-8-3-2-5-10-9(7)8;1-3-8(2)9-6-4-5-7-10-9;1-7(2)8-5-3-4-6-9-8;8*1-3-8-7(2)5-4-6-9-8;1-2-7-5-3-4-6-8-7/h2-10H,1H3;2*3-8H,2H2,1H3;3,6-8H,2,4-5H2,1H3;2-3,5,7H,4,6H2,1H3;3-6,8H,7H2,1-2H3;2-3,5,7H,4,6H2,1H3;4-8H,3H2,1-2H3;3-7H,1-2H3;8*4-6H,3H2,1-2H3;3-6H,2H2,1H3.
What are the key properties of 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine?
2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine has a molecular weight of 2444.57 g/mol, XLogP of 39.29, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylpyridine;1-ethylisoquinoline;octakis(2-ethyl-3-methylpyridine);2-ethylpyridine;2-ethylquinoline;2-(1-methoxypropan-2-yl)pyridine;4-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;4-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]pyridine;8-methyl-5,6,7,8-tetrahydroquinoline;2-propan-2-ylpyridine;2-(1-pyridin-2-ylethyl)pyridine is sourced from PubChem (CID 160966647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).