[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine

C12H18N2O2 — CID 115033407

IUPAC[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine
SMILESCOc1nc(C2CCCOC2)ccc1CN
InChIInChI=1S/C12H18N2O2/c1-15-12-9(7-13)4-5-11(14-12)10-3-2-6-16-8-10/h4-5,10H,2-3,6-8,13H2,1H3
InChIKeyMGOQVYJWQXUADN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds3

About [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine

[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine (PubChem CID 115033407) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine
PubChem CID115033407
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine
SMILESCOc1nc(C2CCCOC2)ccc1CN
InChIInChI=1S/C12H18N2O2/c1-15-12-9(7-13)4-5-11(14-12)10-3-2-6-16-8-10/h4-5,10H,2-3,6-8,13H2,1H3
InChIKeyMGOQVYJWQXUADN-UHFFFAOYSA-N
XLogP1.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine (CID 115033407) is [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine is COc1nc(C2CCCOC2)ccc1CN.
What is the InChIKey of [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine?
The InChIKey is MGOQVYJWQXUADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-12-9(7-13)4-5-11(14-12)10-3-2-6-16-8-10/h4-5,10H,2-3,6-8,13H2,1H3.
What are the key properties of [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine?
[2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(oxan-3-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115033407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).