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

C11H16N2O2 — CID 79162624

IUPAC[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine
SMILESCc1ccc(OC2CCOC2)c(CN)n1
InChIInChI=1S/C11H16N2O2/c1-8-2-3-11(10(6-12)13-8)15-9-4-5-14-7-9/h2-3,9H,4-7,12H2,1H3
InChIKeyDPTWKJVNIVVZMY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.02
Rot. Bonds3

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

[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine (PubChem CID 79162624) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine
PubChem CID79162624
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine
SMILESCc1ccc(OC2CCOC2)c(CN)n1
InChIInChI=1S/C11H16N2O2/c1-8-2-3-11(10(6-12)13-8)15-9-4-5-14-7-9/h2-3,9H,4-7,12H2,1H3
InChIKeyDPTWKJVNIVVZMY-UHFFFAOYSA-N
XLogP1.02
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine (CID 79162624) is [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine is Cc1ccc(OC2CCOC2)c(CN)n1.
What is the InChIKey of [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine?
The InChIKey is DPTWKJVNIVVZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-2-3-11(10(6-12)13-8)15-9-4-5-14-7-9/h2-3,9H,4-7,12H2,1H3.
What are the key properties of [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine?
[6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(oxolan-3-yloxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 79162624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).