2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane

C40H73N3 — CID 159524432

IUPAC2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
SMILESC.CC.CC.CC.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1
InChIInChI=1S/3C11H17N.3C2H6.CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;3*1-2;/h3*5-9H,1-4H3;3*1-2H3;1H4
InChIKeyMCFCJHFUWWJTQG-UHFFFAOYSA-N
MW596.05 g/mol
LogP13.70
Rot. Bonds6

About 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane

2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane (PubChem CID 159524432) has the molecular formula C40H73N3 and a molecular weight of 596.05 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane.

Molecular Properties

Compound Name2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
PubChem CID159524432
Molecular FormulaC40H73N3
Molecular Weight596.05 g/mol
Exact Mass595.58
IUPAC Name2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
SMILESC.CC.CC.CC.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1
InChIInChI=1S/3C11H17N.3C2H6.CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;3*1-2;/h3*5-9H,1-4H3;3*1-2H3;1H4
InChIKeyMCFCJHFUWWJTQG-UHFFFAOYSA-N
XLogP13.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.05
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane?
The IUPAC name of 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane (CID 159524432) is 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane.
What is the SMILES notation for 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane?
The canonical SMILES for 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane is C.CC.CC.CC.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane?
The InChIKey is MCFCJHFUWWJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H17N.3C2H6.CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;3*1-2;/h3*5-9H,1-4H3;3*1-2H3;1H4.
What are the key properties of 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane?
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane has a molecular weight of 596.05 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane is sourced from PubChem (CID 159524432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).