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

C11H19N — CID 129014324

IUPAC2,3-di(propan-2-yl)-3,4-dihydropyridine
SMILESCC(C)C1=NC=CCC1C(C)C
InChIInChI=1S/C11H19N/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5,7-10H,6H2,1-4H3
InChIKeyLJLSHUASCDOAPR-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.27
Rot. Bonds2

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

2,3-di(propan-2-yl)-3,4-dihydropyridine (PubChem CID 129014324) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-3,4-dihydropyridine
PubChem CID129014324
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,3-di(propan-2-yl)-3,4-dihydropyridine
SMILESCC(C)C1=NC=CCC1C(C)C
InChIInChI=1S/C11H19N/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5,7-10H,6H2,1-4H3
InChIKeyLJLSHUASCDOAPR-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-3,4-dihydropyridine?
The IUPAC name of 2,3-di(propan-2-yl)-3,4-dihydropyridine (CID 129014324) is 2,3-di(propan-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 2,3-di(propan-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 2,3-di(propan-2-yl)-3,4-dihydropyridine is CC(C)C1=NC=CCC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-3,4-dihydropyridine?
The InChIKey is LJLSHUASCDOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5,7-10H,6H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-3,4-dihydropyridine?
2,3-di(propan-2-yl)-3,4-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 129014324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).