5-propan-2-yl-4-propan-2-ylidene-3H-pyridine

C11H17N — CID 118941643

IUPAC5-propan-2-yl-4-propan-2-ylidene-3H-pyridine
SMILESCC(C)=C1CC=NC=C1C(C)C
InChIInChI=1S/C11H17N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h6-7,9H,5H2,1-4H3
InChIKeyXYNPAZBTBCFIMA-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.34
Rot. Bonds1

About 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine

5-propan-2-yl-4-propan-2-ylidene-3H-pyridine (PubChem CID 118941643) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine.

Molecular Properties

Compound Name5-propan-2-yl-4-propan-2-ylidene-3H-pyridine
PubChem CID118941643
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-propan-2-yl-4-propan-2-ylidene-3H-pyridine
SMILESCC(C)=C1CC=NC=C1C(C)C
InChIInChI=1S/C11H17N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h6-7,9H,5H2,1-4H3
InChIKeyXYNPAZBTBCFIMA-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine?
The IUPAC name of 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine (CID 118941643) is 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine.
What is the SMILES notation for 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine?
The canonical SMILES for 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine is CC(C)=C1CC=NC=C1C(C)C.
What is the InChIKey of 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine?
The InChIKey is XYNPAZBTBCFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h6-7,9H,5H2,1-4H3.
What are the key properties of 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine?
5-propan-2-yl-4-propan-2-ylidene-3H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-propan-2-ylidene-3H-pyridine is sourced from PubChem (CID 118941643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).