1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine

C9H16N2O — CID 144821847

IUPAC1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine
SMILESCNCC1=CC=C(OC)N(C)C1
InChIInChI=1S/C9H16N2O/c1-10-6-8-4-5-9(12-3)11(2)7-8/h4-5,10H,6-7H2,1-3H3
InChIKeyXUJNGTVOMDEFAN-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.57
Rot. Bonds3

About 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine

1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine (PubChem CID 144821847) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine
PubChem CID144821847
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine
SMILESCNCC1=CC=C(OC)N(C)C1
InChIInChI=1S/C9H16N2O/c1-10-6-8-4-5-9(12-3)11(2)7-8/h4-5,10H,6-7H2,1-3H3
InChIKeyXUJNGTVOMDEFAN-UHFFFAOYSA-N
XLogP0.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine (CID 144821847) is 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine is CNCC1=CC=C(OC)N(C)C1.
What is the InChIKey of 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine?
The InChIKey is XUJNGTVOMDEFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-6-8-4-5-9(12-3)11(2)7-8/h4-5,10H,6-7H2,1-3H3.
What are the key properties of 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine?
1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 144821847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).