[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine

C12H18N2O2 — CID 79163433

IUPAC[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
SMILESCc1ccc(OC2CCOCC2)c(CN)n1
InChIInChI=1S/C12H18N2O2/c1-9-2-3-12(11(8-13)14-9)16-10-4-6-15-7-5-10/h2-3,10H,4-8,13H2,1H3
InChIKeyYFWFJGKREIWFDR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.41
Rot. Bonds3

About [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine

[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine (PubChem CID 79163433) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
PubChem CID79163433
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
SMILESCc1ccc(OC2CCOCC2)c(CN)n1
InChIInChI=1S/C12H18N2O2/c1-9-2-3-12(11(8-13)14-9)16-10-4-6-15-7-5-10/h2-3,10H,4-8,13H2,1H3
InChIKeyYFWFJGKREIWFDR-UHFFFAOYSA-N
XLogP1.41
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine (CID 79163433) is [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine is Cc1ccc(OC2CCOCC2)c(CN)n1.
What is the InChIKey of [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
The InChIKey is YFWFJGKREIWFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-2-3-12(11(8-13)14-9)16-10-4-6-15-7-5-10/h2-3,10H,4-8,13H2,1H3.
What are the key properties of [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine?
[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 79163433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).