N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine

C12H18N2O2 — CID 102606575

IUPACN-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(OC2COC2)cn1
InChIInChI=1S/C12H18N2O2/c1-3-13-9(2)12-5-4-10(6-14-12)16-11-7-15-8-11/h4-6,9,11,13H,3,7-8H2,1-2H3
InChIKeyYCVXMQUXNOVBQF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.53
Rot. Bonds5

About N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine

N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine (PubChem CID 102606575) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine
PubChem CID102606575
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(OC2COC2)cn1
InChIInChI=1S/C12H18N2O2/c1-3-13-9(2)12-5-4-10(6-14-12)16-11-7-15-8-11/h4-6,9,11,13H,3,7-8H2,1-2H3
InChIKeyYCVXMQUXNOVBQF-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine (CID 102606575) is N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(OC2COC2)cn1.
What is the InChIKey of N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine?
The InChIKey is YCVXMQUXNOVBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-9(2)12-5-4-10(6-14-12)16-11-7-15-8-11/h4-6,9,11,13H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(oxetan-3-yloxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 102606575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).