4,5-di(propan-2-yl)-2,3-dihydropyridine

C11H19N — CID 174194900

IUPAC4,5-di(propan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C1=C(C(C)C)CCN=C1
InChIInChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyXEFWYXLRVDCHTP-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds2

About 4,5-di(propan-2-yl)-2,3-dihydropyridine

4,5-di(propan-2-yl)-2,3-dihydropyridine (PubChem CID 174194900) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-2,3-dihydropyridine
PubChem CID174194900
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4,5-di(propan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C1=C(C(C)C)CCN=C1
InChIInChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyXEFWYXLRVDCHTP-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-2,3-dihydropyridine?
The IUPAC name of 4,5-di(propan-2-yl)-2,3-dihydropyridine (CID 174194900) is 4,5-di(propan-2-yl)-2,3-dihydropyridine.
What is the SMILES notation for 4,5-di(propan-2-yl)-2,3-dihydropyridine?
The canonical SMILES for 4,5-di(propan-2-yl)-2,3-dihydropyridine is CC(C)C1=C(C(C)C)CCN=C1.
What is the InChIKey of 4,5-di(propan-2-yl)-2,3-dihydropyridine?
The InChIKey is XEFWYXLRVDCHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-2,3-dihydropyridine?
4,5-di(propan-2-yl)-2,3-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-2,3-dihydropyridine is sourced from PubChem (CID 174194900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).