N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine

C16H28N2O2 — CID 106447905

IUPACN-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOCC(C)C)cn1
InChIInChI=1S/C16H28N2O2/c1-5-8-17-14(4)16-7-6-15(11-18-16)20-10-9-19-12-13(2)3/h6-7,11,13-14,17H,5,8-10,12H2,1-4H3
InChIKeyQBQKSDORISMZQY-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.19
Rot. Bonds10

About N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 106447905) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
PubChem CID106447905
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOCC(C)C)cn1
InChIInChI=1S/C16H28N2O2/c1-5-8-17-14(4)16-7-6-15(11-18-16)20-10-9-19-12-13(2)3/h6-7,11,13-14,17H,5,8-10,12H2,1-4H3
InChIKeyQBQKSDORISMZQY-UHFFFAOYSA-N
XLogP3.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.19
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

N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 115942116
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]ethanamine
CID 103178120
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
2-fluoro-5-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106459965
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836
N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106447868

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine (CID 106447905) is N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCCOCC(C)C)cn1.
What is the InChIKey of N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is QBQKSDORISMZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-8-17-14(4)16-7-6-15(11-18-16)20-10-9-19-12-13(2)3/h6-7,11,13-14,17H,5,8-10,12H2,1-4H3.
What are the key properties of N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 106447905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).