1-(2H-pyran-4-yl)ethanamine

C7H11NO — CID 23344134

IUPAC1-(2H-pyran-4-yl)ethanamine
SMILESCC(N)C1=CCOC=C1
InChIInChI=1S/C7H11NO/c1-6(8)7-2-4-9-5-3-7/h2-4,6H,5,8H2,1H3
InChIKeyPSGWBJGVHCYFOR-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.80
Rot. Bonds1

About 1-(2H-pyran-4-yl)ethanamine

1-(2H-pyran-4-yl)ethanamine (PubChem CID 23344134) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(2H-pyran-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2H-pyran-4-yl)ethanamine
PubChem CID23344134
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(2H-pyran-4-yl)ethanamine
SMILESCC(N)C1=CCOC=C1
InChIInChI=1S/C7H11NO/c1-6(8)7-2-4-9-5-3-7/h2-4,6H,5,8H2,1H3
InChIKeyPSGWBJGVHCYFOR-UHFFFAOYSA-N
XLogP0.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-4-yl)ethanamine?
The IUPAC name of 1-(2H-pyran-4-yl)ethanamine (CID 23344134) is 1-(2H-pyran-4-yl)ethanamine.
What is the SMILES notation for 1-(2H-pyran-4-yl)ethanamine?
The canonical SMILES for 1-(2H-pyran-4-yl)ethanamine is CC(N)C1=CCOC=C1.
What is the InChIKey of 1-(2H-pyran-4-yl)ethanamine?
The InChIKey is PSGWBJGVHCYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(8)7-2-4-9-5-3-7/h2-4,6H,5,8H2,1H3.
What are the key properties of 1-(2H-pyran-4-yl)ethanamine?
1-(2H-pyran-4-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-4-yl)ethanamine is sourced from PubChem (CID 23344134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).