3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine

C14H20N2 — CID 57092793

IUPAC3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine
SMILESCC1=C(CCC2=C(C)CN=CC2)CC=NC1
InChIInChI=1S/C14H20N2/c1-11-9-15-7-5-13(11)3-4-14-6-8-16-10-12(14)2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCJFBNSIZLYXDBH-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.35
Rot. Bonds3

About 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine

3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine (PubChem CID 57092793) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine.

Molecular Properties

Compound Name3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine
PubChem CID57092793
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine
SMILESCC1=C(CCC2=C(C)CN=CC2)CC=NC1
InChIInChI=1S/C14H20N2/c1-11-9-15-7-5-13(11)3-4-14-6-8-16-10-12(14)2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCJFBNSIZLYXDBH-UHFFFAOYSA-N
XLogP3.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143699611
N-methyl-1-(2-methylcyclohexen-1-yl)methanimine
CID 144010246

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine?
The IUPAC name of 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine (CID 57092793) is 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine.
What is the SMILES notation for 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine?
The canonical SMILES for 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine is CC1=C(CCC2=C(C)CN=CC2)CC=NC1.
What is the InChIKey of 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine?
The InChIKey is CJFBNSIZLYXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-9-15-7-5-13(11)3-4-14-6-8-16-10-12(14)2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine?
3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine has a molecular weight of 216.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(3-methyl-2,5-dihydropyridin-4-yl)ethyl]-2,5-dihydropyridine is sourced from PubChem (CID 57092793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).