6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine

C11H18N2 — CID 142142769

IUPAC6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine
SMILESCC1=NC(CCN2CCC2)=CCC1
InChIInChI=1S/C11H18N2/c1-10-4-2-5-11(12-10)6-9-13-7-3-8-13/h5H,2-4,6-9H2,1H3
InChIKeyGCKLYKYVHUAVNH-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds3

About 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine

6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine (PubChem CID 142142769) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine
PubChem CID142142769
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine
SMILESCC1=NC(CCN2CCC2)=CCC1
InChIInChI=1S/C11H18N2/c1-10-4-2-5-11(12-10)6-9-13-7-3-8-13/h5H,2-4,6-9H2,1H3
InChIKeyGCKLYKYVHUAVNH-UHFFFAOYSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-5-(azetidin-1-yl)hept-4-en-3-imine
CID 123814783

Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine?
The IUPAC name of 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine (CID 142142769) is 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine is CC1=NC(CCN2CCC2)=CCC1.
What is the InChIKey of 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine?
The InChIKey is GCKLYKYVHUAVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-4-2-5-11(12-10)6-9-13-7-3-8-13/h5H,2-4,6-9H2,1H3.
What are the key properties of 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine?
6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 142142769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).