N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine

C12H18N2O2 — CID 63558303

IUPACN-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OC2CCOC2)ccn1
InChIInChI=1S/C12H18N2O2/c1-2-13-8-10-7-11(3-5-14-10)16-12-4-6-15-9-12/h3,5,7,12-13H,2,4,6,8-9H2,1H3
InChIKeyXWOIFYPPQOCMNB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds5

About N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine

N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 63558303) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine
PubChem CID63558303
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OC2CCOC2)ccn1
InChIInChI=1S/C12H18N2O2/c1-2-13-8-10-7-11(3-5-14-10)16-12-4-6-15-9-12/h3,5,7,12-13H,2,4,6,8-9H2,1H3
InChIKeyXWOIFYPPQOCMNB-UHFFFAOYSA-N
XLogP1.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine (CID 63558303) is N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine is CCNCc1cc(OC2CCOC2)ccn1.
What is the InChIKey of N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is XWOIFYPPQOCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-13-8-10-7-11(3-5-14-10)16-12-4-6-15-9-12/h3,5,7,12-13H,2,4,6,8-9H2,1H3.
What are the key properties of N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine?
N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-3-yloxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 63558303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).