1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine

C13H21N3O — CID 83122399

IUPAC1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine
SMILESCCC1COCCN1c1ccc(C(C)N)nc1
InChIInChI=1S/C13H21N3O/c1-3-11-9-17-7-6-16(11)12-4-5-13(10(2)14)15-8-12/h4-5,8,10-11H,3,6-7,9,14H2,1-2H3
InChIKeyRQJHXTQPJTWFCS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds3

About 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine

1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine (PubChem CID 83122399) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine
PubChem CID83122399
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine
SMILESCCC1COCCN1c1ccc(C(C)N)nc1
InChIInChI=1S/C13H21N3O/c1-3-11-9-17-7-6-16(11)12-4-5-13(10(2)14)15-8-12/h4-5,8,10-11H,3,6-7,9,14H2,1-2H3
InChIKeyRQJHXTQPJTWFCS-UHFFFAOYSA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine (CID 83122399) is 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine is CCC1COCCN1c1ccc(C(C)N)nc1.
What is the InChIKey of 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine?
The InChIKey is RQJHXTQPJTWFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11-9-17-7-6-16(11)12-4-5-13(10(2)14)15-8-12/h4-5,8,10-11H,3,6-7,9,14H2,1-2H3.
What are the key properties of 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine?
1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylmorpholin-4-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83122399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).