1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine

C12H20N2O2 — CID 79151186

IUPAC1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(C)ccc1OC(C)COC
InChIInChI=1S/C12H20N2O2/c1-9-5-6-12(11(14-9)7-13-3)16-10(2)8-15-4/h5-6,10,13H,7-8H2,1-4H3
InChIKeyDRRYHBOWKCGAKZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.52
Rot. Bonds6

About 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine

1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine (PubChem CID 79151186) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
PubChem CID79151186
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(C)ccc1OC(C)COC
InChIInChI=1S/C12H20N2O2/c1-9-5-6-12(11(14-9)7-13-3)16-10(2)8-15-4/h5-6,10,13H,7-8H2,1-4H3
InChIKeyDRRYHBOWKCGAKZ-UHFFFAOYSA-N
XLogP1.52
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine (CID 79151186) is 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine is CNCc1nc(C)ccc1OC(C)COC.
What is the InChIKey of 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine?
The InChIKey is DRRYHBOWKCGAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-5-6-12(11(14-9)7-13-3)16-10(2)8-15-4/h5-6,10,13H,7-8H2,1-4H3.
What are the key properties of 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine?
1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxypropan-2-yloxy)-6-methyl-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 79151186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).