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

C20H32N2 — CID 67427103

IUPAC2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine
SMILESCCCCCCCCCC(C1C=CC=CN1)C1C=CC=CN1
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/h9-12,14-22H,2-8,13H2,1H3
InChIKeyYXVQPWPRDCAWBT-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.83
Rot. Bonds10

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

2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine (PubChem CID 67427103) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine
PubChem CID67427103
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine
SMILESCCCCCCCCCC(C1C=CC=CN1)C1C=CC=CN1
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/h9-12,14-22H,2-8,13H2,1H3
InChIKeyYXVQPWPRDCAWBT-UHFFFAOYSA-N
XLogP4.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
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-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine?
The IUPAC name of 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine (CID 67427103) is 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine.
What is the SMILES notation for 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine?
The canonical SMILES for 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine is CCCCCCCCCC(C1C=CC=CN1)C1C=CC=CN1.
What is the InChIKey of 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine?
The InChIKey is YXVQPWPRDCAWBT-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/h9-12,14-22H,2-8,13H2,1H3.
What are the key properties of 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine?
2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine has a molecular weight of 300.49 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dihydropyridin-2-yl)decyl]-1,2-dihydropyridine is sourced from PubChem (CID 67427103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).