2-ethoxy-1-pyridin-3-ylpentan-1-amine

C12H20N2O — CID 116717421

IUPAC2-ethoxy-1-pyridin-3-ylpentan-1-amine
SMILESCCCC(OCC)C(N)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-3-6-11(15-4-2)12(13)10-7-5-8-14-9-10/h5,7-9,11-12H,3-4,6,13H2,1-2H3
InChIKeyFXRINXHDFJTMIU-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.29
Rot. Bonds6

About 2-ethoxy-1-pyridin-3-ylpentan-1-amine

2-ethoxy-1-pyridin-3-ylpentan-1-amine (PubChem CID 116717421) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-ethoxy-1-pyridin-3-ylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-pyridin-3-ylpentan-1-amine
PubChem CID116717421
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-ethoxy-1-pyridin-3-ylpentan-1-amine
SMILESCCCC(OCC)C(N)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-3-6-11(15-4-2)12(13)10-7-5-8-14-9-10/h5,7-9,11-12H,3-4,6,13H2,1-2H3
InChIKeyFXRINXHDFJTMIU-UHFFFAOYSA-N
XLogP2.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-ethoxy-1-isoquinolin-8-ylpentan-1-amine
CID 103143794
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-ethoxy-1-pyridin-3-ylbutan-1-ol
CID 116711052
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
CID 102980637
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-ethoxy-N-ethyl-1-pyridin-3-ylhexan-2-amine
CID 116718024
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
2-ethoxy-1-(2-phenylpyrazol-3-yl)pentan-1-amine
CID 107330887

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-pyridin-3-ylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-pyridin-3-ylpentan-1-amine (CID 116717421) is 2-ethoxy-1-pyridin-3-ylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-pyridin-3-ylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-pyridin-3-ylpentan-1-amine is CCCC(OCC)C(N)c1cccnc1.
What is the InChIKey of 2-ethoxy-1-pyridin-3-ylpentan-1-amine?
The InChIKey is FXRINXHDFJTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-6-11(15-4-2)12(13)10-7-5-8-14-9-10/h5,7-9,11-12H,3-4,6,13H2,1-2H3.
What are the key properties of 2-ethoxy-1-pyridin-3-ylpentan-1-amine?
2-ethoxy-1-pyridin-3-ylpentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-pyridin-3-ylpentan-1-amine is sourced from PubChem (CID 116717421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).