2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine

C16H28N2O3 — CID 104561604

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCCCOCCOCCOCCNCc1cccnc1
InChIInChI=1S/C16H28N2O3/c1-2-3-8-19-10-12-21-13-11-20-9-7-18-15-16-5-4-6-17-14-16/h4-6,14,18H,2-3,7-13,15H2,1H3
InChIKeyVETJQTGUPKGTBK-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.02
Rot. Bonds14

About 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine

2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 104561604) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID104561604
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCCCOCCOCCOCCNCc1cccnc1
InChIInChI=1S/C16H28N2O3/c1-2-3-8-19-10-12-21-13-11-20-9-7-18-15-16-5-4-6-17-14-16/h4-6,14,18H,2-3,7-13,15H2,1H3
InChIKeyVETJQTGUPKGTBK-UHFFFAOYSA-N
XLogP2.02
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
CID 63262836
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine (CID 104561604) is 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine is CCCCOCCOCCOCCNCc1cccnc1.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is VETJQTGUPKGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-3-8-19-10-12-21-13-11-20-9-7-18-15-16-5-4-6-17-14-16/h4-6,14,18H,2-3,7-13,15H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine?
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 296.41 g/mol, XLogP of 2.02, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 104561604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).