(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine

C11H16N2O2 — CID 83123778

IUPAC(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OC2CCOC2)cn1
InChIInChI=1S/C11H16N2O2/c1-8(12)11-3-2-9(6-13-11)15-10-4-5-14-7-10/h2-3,6,8,10H,4-5,7,12H2,1H3/t8-,10?/m0/s1
InChIKeyQEHZIRWCBLEPCZ-PEHGTWAWSA-N
MW208.26 g/mol
LogP1.27
Rot. Bonds3

About (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine

(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine (PubChem CID 83123778) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
PubChem CID83123778
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OC2CCOC2)cn1
InChIInChI=1S/C11H16N2O2/c1-8(12)11-3-2-9(6-13-11)15-10-4-5-14-7-10/h2-3,6,8,10H,4-5,7,12H2,1H3/t8-,10?/m0/s1
InChIKeyQEHZIRWCBLEPCZ-PEHGTWAWSA-N
XLogP1.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine (CID 83123778) is (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(OC2CCOC2)cn1.
What is the InChIKey of (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine?
The InChIKey is QEHZIRWCBLEPCZ-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(12)11-3-2-9(6-13-11)15-10-4-5-14-7-10/h2-3,6,8,10H,4-5,7,12H2,1H3/t8-,10?/m0/s1.
What are the key properties of (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine?
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine has a molecular weight of 208.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).