2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol

C12H21N3O2 — CID 61425083

IUPAC2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol
SMILESCCCN(CCO)c1ccc(N)c(OCC)n1
InChIInChI=1S/C12H21N3O2/c1-3-7-15(8-9-16)11-6-5-10(13)12(14-11)17-4-2/h5-6,16H,3-4,7-9,13H2,1-2H3
InChIKeyXFLNIXLNVGQNEE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.27
Rot. Bonds7

About 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol

2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol (PubChem CID 61425083) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol
PubChem CID61425083
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol
SMILESCCCN(CCO)c1ccc(N)c(OCC)n1
InChIInChI=1S/C12H21N3O2/c1-3-7-15(8-9-16)11-6-5-10(13)12(14-11)17-4-2/h5-6,16H,3-4,7-9,13H2,1-2H3
InChIKeyXFLNIXLNVGQNEE-UHFFFAOYSA-N
XLogP1.27
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol?
The IUPAC name of 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol (CID 61425083) is 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol?
The canonical SMILES for 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol is CCCN(CCO)c1ccc(N)c(OCC)n1.
What is the InChIKey of 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol?
The InChIKey is XFLNIXLNVGQNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-7-15(8-9-16)11-6-5-10(13)12(14-11)17-4-2/h5-6,16H,3-4,7-9,13H2,1-2H3.
What are the key properties of 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol?
2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol is sourced from PubChem (CID 61425083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).