1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine

C13H21N3O — CID 114055939

IUPAC1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cccnc1N1CCOCC1(C)C
InChIInChI=1S/C13H21N3O/c1-10(14)11-5-4-6-15-12(11)16-7-8-17-9-13(16,2)3/h4-6,10H,7-9,14H2,1-3H3
InChIKeyIBRWSWSHSOWPPK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds2

About 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine

1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine (PubChem CID 114055939) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine
PubChem CID114055939
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cccnc1N1CCOCC1(C)C
InChIInChI=1S/C13H21N3O/c1-10(14)11-5-4-6-15-12(11)16-7-8-17-9-13(16,2)3/h4-6,10H,7-9,14H2,1-3H3
InChIKeyIBRWSWSHSOWPPK-UHFFFAOYSA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine (CID 114055939) is 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine is CC(N)c1cccnc1N1CCOCC1(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is IBRWSWSHSOWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)11-5-4-6-15-12(11)16-7-8-17-9-13(16,2)3/h4-6,10H,7-9,14H2,1-3H3.
What are the key properties of 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine?
1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114055939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).