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

C26H46N2 — CID 159523313

IUPAC2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
SMILESCC.CC.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1
InChIInChI=1S/2C11H17N.2C2H6/c1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;2*1-2/h2*5-9H,1-4H3;2*1-2H3
InChIKeyMCBULPAQYUZTRU-UHFFFAOYSA-N
MW386.67 g/mol
LogP8.71
Rot. Bonds4

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

2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane (PubChem CID 159523313) has the molecular formula C26H46N2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane.

Molecular Properties

Compound Name2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
PubChem CID159523313
Molecular FormulaC26H46N2
Molecular Weight386.67 g/mol
Exact Mass386.37
IUPAC Name2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
SMILESCC.CC.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1
InChIInChI=1S/2C11H17N.2C2H6/c1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;2*1-2/h2*5-9H,1-4H3;2*1-2H3
InChIKeyMCBULPAQYUZTRU-UHFFFAOYSA-N
XLogP8.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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;ethane?
The IUPAC name of 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane (CID 159523313) is 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane.
What is the SMILES notation for 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane?
The canonical SMILES for 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane is CC.CC.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane?
The InChIKey is MCBULPAQYUZTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N.2C2H6/c1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;2*1-2/h2*5-9H,1-4H3;2*1-2H3.
What are the key properties of 2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane?
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane has a molecular weight of 386.67 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 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;ethane is sourced from PubChem (CID 159523313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).