[2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine

C12H18N2O2 — CID 115033402

IUPAC[2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine
SMILESCOc1ncc(C2CCCCO2)cc1CN
InChIInChI=1S/C12H18N2O2/c1-15-12-9(7-13)6-10(8-14-12)11-4-2-3-5-16-11/h6,8,11H,2-5,7,13H2,1H3
InChIKeyQZYQPKMFHZDKLV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.79
Rot. Bonds3

About [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine

[2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine (PubChem CID 115033402) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine
PubChem CID115033402
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine
SMILESCOc1ncc(C2CCCCO2)cc1CN
InChIInChI=1S/C12H18N2O2/c1-15-12-9(7-13)6-10(8-14-12)11-4-2-3-5-16-11/h6,8,11H,2-5,7,13H2,1H3
InChIKeyQZYQPKMFHZDKLV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine (CID 115033402) is [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine is COc1ncc(C2CCCCO2)cc1CN.
What is the InChIKey of [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine?
The InChIKey is QZYQPKMFHZDKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-12-9(7-13)6-10(8-14-12)11-4-2-3-5-16-11/h6,8,11H,2-5,7,13H2,1H3.
What are the key properties of [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine?
[2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(oxan-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115033402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).