5-propan-2-yl-6-propyl-2,3-dihydropyridine

C11H19N — CID 176699137

IUPAC5-propan-2-yl-6-propyl-2,3-dihydropyridine
SMILESCCCC1=NCCC=C1C(C)C
InChIInChI=1S/C11H19N/c1-4-6-11-10(9(2)3)7-5-8-12-11/h7,9H,4-6,8H2,1-3H3
InChIKeyWENBUNYGYBDZFO-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds3

About 5-propan-2-yl-6-propyl-2,3-dihydropyridine

5-propan-2-yl-6-propyl-2,3-dihydropyridine (PubChem CID 176699137) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-propan-2-yl-6-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-6-propyl-2,3-dihydropyridine
PubChem CID176699137
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-propan-2-yl-6-propyl-2,3-dihydropyridine
SMILESCCCC1=NCCC=C1C(C)C
InChIInChI=1S/C11H19N/c1-4-6-11-10(9(2)3)7-5-8-12-11/h7,9H,4-6,8H2,1-3H3
InChIKeyWENBUNYGYBDZFO-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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-6-propyl-2,3-dihydropyridine?
The IUPAC name of 5-propan-2-yl-6-propyl-2,3-dihydropyridine (CID 176699137) is 5-propan-2-yl-6-propyl-2,3-dihydropyridine.
What is the SMILES notation for 5-propan-2-yl-6-propyl-2,3-dihydropyridine?
The canonical SMILES for 5-propan-2-yl-6-propyl-2,3-dihydropyridine is CCCC1=NCCC=C1C(C)C.
What is the InChIKey of 5-propan-2-yl-6-propyl-2,3-dihydropyridine?
The InChIKey is WENBUNYGYBDZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-11-10(9(2)3)7-5-8-12-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 5-propan-2-yl-6-propyl-2,3-dihydropyridine?
5-propan-2-yl-6-propyl-2,3-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-propyl-2,3-dihydropyridine is sourced from PubChem (CID 176699137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).