2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine

C36H64N4 — CID 176559116

IUPAC2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine
SMILESCC.CC.CC.CC(C)c1ccnc(C(C)C)c1.CCc1ccc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/2C11H17N.C8H12N2.3C2H6/c1-8(2)10-5-6-12-11(7-10)9(3)4;1-5-10-6-7-11(8(2)3)9(4)12-10;1-6(2)8-5-9-7(3)4-10-8;3*1-2/h5-9H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;3*1-2H3
InChIKeyFIGAKAITAGZSTB-UHFFFAOYSA-N
MW552.94 g/mol
LogP11.39
Rot. Bonds5

About 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine

2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine (PubChem CID 176559116) has the molecular formula C36H64N4 and a molecular weight of 552.94 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine
PubChem CID176559116
Molecular FormulaC36H64N4
Molecular Weight552.94 g/mol
Exact Mass552.51
IUPAC Name2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine
SMILESCC.CC.CC.CC(C)c1ccnc(C(C)C)c1.CCc1ccc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/2C11H17N.C8H12N2.3C2H6/c1-8(2)10-5-6-12-11(7-10)9(3)4;1-5-10-6-7-11(8(2)3)9(4)12-10;1-6(2)8-5-9-7(3)4-10-8;3*1-2/h5-9H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;3*1-2H3
InChIKeyFIGAKAITAGZSTB-UHFFFAOYSA-N
XLogP11.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.94
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine?
The IUPAC name of 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine (CID 176559116) is 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine.
What is the SMILES notation for 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine?
The canonical SMILES for 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine is CC.CC.CC.CC(C)c1ccnc(C(C)C)c1.CCc1ccc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.
What is the InChIKey of 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine?
The InChIKey is FIGAKAITAGZSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N.C8H12N2.3C2H6/c1-8(2)10-5-6-12-11(7-10)9(3)4;1-5-10-6-7-11(8(2)3)9(4)12-10;1-6(2)8-5-9-7(3)4-10-8;3*1-2/h5-9H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;3*1-2H3.
What are the key properties of 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine?
2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine has a molecular weight of 552.94 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)pyridine;ethane;6-ethyl-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine is sourced from PubChem (CID 176559116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).