2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine

C20H32N2 — CID 67427102

IUPAC2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
SMILESCCCCCCCCCC(C1CC=CC=N1)C1CC=CC=N1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-13-18(19-14-9-11-16-21-19)20-15-10-12-17-22-20/h9-12,16-20H,2-8,13-15H2,1H3
InChIKeyRDXBENMLHQRQDZ-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.54
Rot. Bonds10

About 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine

2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine (PubChem CID 67427102) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
PubChem CID67427102
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
SMILESCCCCCCCCCC(C1CC=CC=N1)C1CC=CC=N1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-13-18(19-14-9-11-16-21-19)20-15-10-12-17-22-20/h9-12,16-20H,2-8,13-15H2,1H3
InChIKeyRDXBENMLHQRQDZ-UHFFFAOYSA-N
XLogP5.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
The IUPAC name of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine (CID 67427102) is 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine.
What is the SMILES notation for 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
The canonical SMILES for 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine is CCCCCCCCCC(C1CC=CC=N1)C1CC=CC=N1.
What is the InChIKey of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
The InChIKey is RDXBENMLHQRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-3-4-5-6-7-8-13-18(19-14-9-11-16-21-19)20-15-10-12-17-22-20/h9-12,16-20H,2-8,13-15H2,1H3.
What are the key properties of 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine?
2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine has a molecular weight of 300.49 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydropyridin-2-yl)decyl]-2,3-dihydropyridine is sourced from PubChem (CID 67427102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).