2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine

C13H20N2O2 — CID 79365253

IUPAC2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
SMILESCOCCNCC1CCOC1c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-16-8-6-15-10-12-4-7-17-13(12)11-3-2-5-14-9-11/h2-3,5,9,12-13,15H,4,6-8,10H2,1H3
InChIKeyJIWKAZMEKQWSKF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.40
Rot. Bonds6

About 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine

2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine (PubChem CID 79365253) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
PubChem CID79365253
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
SMILESCOCCNCC1CCOC1c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-16-8-6-15-10-12-4-7-17-13(12)11-3-2-5-14-9-11/h2-3,5,9,12-13,15H,4,6-8,10H2,1H3
InChIKeyJIWKAZMEKQWSKF-UHFFFAOYSA-N
XLogP1.40
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine (CID 79365253) is 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine is COCCNCC1CCOC1c1cccnc1.
What is the InChIKey of 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine?
The InChIKey is JIWKAZMEKQWSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-8-6-15-10-12-4-7-17-13(12)11-3-2-5-14-9-11/h2-3,5,9,12-13,15H,4,6-8,10H2,1H3.
What are the key properties of 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine?
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79365253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).