2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine

C11H20N2O — CID 158476464

IUPAC2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine
SMILESCOC1C=C(C)C(CCN(C)C)=CN1
InChIInChI=1S/C11H20N2O/c1-9-7-11(14-4)12-8-10(9)5-6-13(2)3/h7-8,11-12H,5-6H2,1-4H3
InChIKeyAESIELREUSEAJF-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.34
Rot. Bonds4

About 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine

2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine (PubChem CID 158476464) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine
PubChem CID158476464
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine
SMILESCOC1C=C(C)C(CCN(C)C)=CN1
InChIInChI=1S/C11H20N2O/c1-9-7-11(14-4)12-8-10(9)5-6-13(2)3/h7-8,11-12H,5-6H2,1-4H3
InChIKeyAESIELREUSEAJF-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine (CID 158476464) is 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine is COC1C=C(C)C(CCN(C)C)=CN1.
What is the InChIKey of 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine?
The InChIKey is AESIELREUSEAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-7-11(14-4)12-8-10(9)5-6-13(2)3/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine?
2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine has a molecular weight of 196.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 158476464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).