2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine

C13H22N2O2 — CID 55092985

IUPAC2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
SMILESCCCCOCCNCCOc1cccnc1
InChIInChI=1S/C13H22N2O2/c1-2-3-9-16-10-7-14-8-11-17-13-5-4-6-15-12-13/h4-6,12,14H,2-3,7-11H2,1H3
InChIKeyDDLKMLQYGNZGBN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds10

About 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine

2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine (PubChem CID 55092985) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
PubChem CID55092985
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
SMILESCCCCOCCNCCOc1cccnc1
InChIInChI=1S/C13H22N2O2/c1-2-3-9-16-10-7-14-8-11-17-13-5-4-6-15-12-13/h4-6,12,14H,2-3,7-11H2,1H3
InChIKeyDDLKMLQYGNZGBN-UHFFFAOYSA-N
XLogP1.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
3-octadecoxypyridine
CID 175800212
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
CID 63262836
2-ethoxy-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62583085
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
N-(2-pyridin-3-yloxyethyl)hexan-3-amine
CID 115905779

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine (CID 55092985) is 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine is CCCCOCCNCCOc1cccnc1.
What is the InChIKey of 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine?
The InChIKey is DDLKMLQYGNZGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-9-16-10-7-14-8-11-17-13-5-4-6-15-12-13/h4-6,12,14H,2-3,7-11H2,1H3.
What are the key properties of 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine?
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine is sourced from PubChem (CID 55092985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).