[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine

C12H18N2O2 — CID 102607865

IUPAC[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCC(C)c1cc(CN)cc(OC2COC2)n1
InChIInChI=1S/C12H18N2O2/c1-8(2)11-3-9(5-13)4-12(14-11)16-10-6-15-7-10/h3-4,8,10H,5-7,13H2,1-2H3
InChIKeyWAPDDOQKCSKMLA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds4

About [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine

[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine (PubChem CID 102607865) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine
PubChem CID102607865
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCC(C)c1cc(CN)cc(OC2COC2)n1
InChIInChI=1S/C12H18N2O2/c1-8(2)11-3-9(5-13)4-12(14-11)16-10-6-15-7-10/h3-4,8,10H,5-7,13H2,1-2H3
InChIKeyWAPDDOQKCSKMLA-UHFFFAOYSA-N
XLogP1.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine?
The IUPAC name of [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine (CID 102607865) is [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine is CC(C)c1cc(CN)cc(OC2COC2)n1.
What is the InChIKey of [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine?
The InChIKey is WAPDDOQKCSKMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)11-3-9(5-13)4-12(14-11)16-10-6-15-7-10/h3-4,8,10H,5-7,13H2,1-2H3.
What are the key properties of [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine?
[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine is sourced from PubChem (CID 102607865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).