2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine

C13H16N2O — CID 155682299

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine
SMILESC=C(C)c1cc(N)cc(C2=CCOCC2)n1
InChIInChI=1S/C13H16N2O/c1-9(2)12-7-11(14)8-13(15-12)10-3-5-16-6-4-10/h3,7-8H,1,4-6H2,2H3,(H2,14,15)
InChIKeyDYPLGSIKXVLIDO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.50
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine

2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine (PubChem CID 155682299) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine
PubChem CID155682299
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine
SMILESC=C(C)c1cc(N)cc(C2=CCOCC2)n1
InChIInChI=1S/C13H16N2O/c1-9(2)12-7-11(14)8-13(15-12)10-3-5-16-6-4-10/h3,7-8H,1,4-6H2,2H3,(H2,14,15)
InChIKeyDYPLGSIKXVLIDO-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine (CID 155682299) is 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine is C=C(C)c1cc(N)cc(C2=CCOCC2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine?
The InChIKey is DYPLGSIKXVLIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)12-7-11(14)8-13(15-12)10-3-5-16-6-4-10/h3,7-8H,1,4-6H2,2H3,(H2,14,15).
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine?
2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine has a molecular weight of 216.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine is sourced from PubChem (CID 155682299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).