3,4-di(propan-2-yl)-1,2-dihydropyridine

C11H19N — CID 23393312

IUPAC3,4-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C1=C(C(C)C)CNC=C1
InChIInChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8-9,12H,7H2,1-4H3
InChIKeyTZGCCMWJCUKJEF-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.71
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,2-dihydropyridine

3,4-di(propan-2-yl)-1,2-dihydropyridine (PubChem CID 23393312) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,2-dihydropyridine
PubChem CID23393312
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3,4-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C1=C(C(C)C)CNC=C1
InChIInChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8-9,12H,7H2,1-4H3
InChIKeyTZGCCMWJCUKJEF-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2-dihydropyridine?
The IUPAC name of 3,4-di(propan-2-yl)-1,2-dihydropyridine (CID 23393312) is 3,4-di(propan-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 3,4-di(propan-2-yl)-1,2-dihydropyridine is CC(C)C1=C(C(C)C)CNC=C1.
What is the InChIKey of 3,4-di(propan-2-yl)-1,2-dihydropyridine?
The InChIKey is TZGCCMWJCUKJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8-9,12H,7H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,2-dihydropyridine?
3,4-di(propan-2-yl)-1,2-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 23393312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).