6-(4-methoxyoxan-4-yl)pyridin-3-amine

C11H16N2O2 — CID 45104865

IUPAC6-(4-methoxyoxan-4-yl)pyridin-3-amine
SMILESCOC1(c2ccc(N)cn2)CCOCC1
InChIInChI=1S/C11H16N2O2/c1-14-11(4-6-15-7-5-11)10-3-2-9(12)8-13-10/h2-3,8H,4-7,12H2,1H3
InChIKeyIHJYRBOCTMKFKP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.32
Rot. Bonds2

About 6-(4-methoxyoxan-4-yl)pyridin-3-amine

6-(4-methoxyoxan-4-yl)pyridin-3-amine (PubChem CID 45104865) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(4-methoxyoxan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyoxan-4-yl)pyridin-3-amine
PubChem CID45104865
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-(4-methoxyoxan-4-yl)pyridin-3-amine
SMILESCOC1(c2ccc(N)cn2)CCOCC1
InChIInChI=1S/C11H16N2O2/c1-14-11(4-6-15-7-5-11)10-3-2-9(12)8-13-10/h2-3,8H,4-7,12H2,1H3
InChIKeyIHJYRBOCTMKFKP-UHFFFAOYSA-N
XLogP1.32
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyoxan-4-yl)pyridin-3-amine?
The IUPAC name of 6-(4-methoxyoxan-4-yl)pyridin-3-amine (CID 45104865) is 6-(4-methoxyoxan-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-(4-methoxyoxan-4-yl)pyridin-3-amine?
The canonical SMILES for 6-(4-methoxyoxan-4-yl)pyridin-3-amine is COC1(c2ccc(N)cn2)CCOCC1.
What is the InChIKey of 6-(4-methoxyoxan-4-yl)pyridin-3-amine?
The InChIKey is IHJYRBOCTMKFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-14-11(4-6-15-7-5-11)10-3-2-9(12)8-13-10/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 6-(4-methoxyoxan-4-yl)pyridin-3-amine?
6-(4-methoxyoxan-4-yl)pyridin-3-amine has a molecular weight of 208.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyoxan-4-yl)pyridin-3-amine is sourced from PubChem (CID 45104865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).