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

C13H22N2 — CID 121480493

IUPAC6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine
SMILESCC1=CC=CC(C(C)C2CCN(C)C2)N1
InChIInChI=1S/C13H22N2/c1-10-5-4-6-13(14-10)11(2)12-7-8-15(3)9-12/h4-6,11-14H,7-9H2,1-3H3
InChIKeyYDBKTNRTGFNDGC-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.01
Rot. Bonds2

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

6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine (PubChem CID 121480493) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine
PubChem CID121480493
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine
SMILESCC1=CC=CC(C(C)C2CCN(C)C2)N1
InChIInChI=1S/C13H22N2/c1-10-5-4-6-13(14-10)11(2)12-7-8-15(3)9-12/h4-6,11-14H,7-9H2,1-3H3
InChIKeyYDBKTNRTGFNDGC-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine?
The IUPAC name of 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine (CID 121480493) is 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine.
What is the SMILES notation for 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine?
The canonical SMILES for 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine is CC1=CC=CC(C(C)C2CCN(C)C2)N1.
What is the InChIKey of 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine?
The InChIKey is YDBKTNRTGFNDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-5-4-6-13(14-10)11(2)12-7-8-15(3)9-12/h4-6,11-14H,7-9H2,1-3H3.
What are the key properties of 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine?
6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine has a molecular weight of 206.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-(1-methylpyrrolidin-3-yl)ethyl]-1,2-dihydropyridine is sourced from PubChem (CID 121480493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).