2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine

C16H28N2O2 — CID 116717966

IUPAC2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1cncc(OCC)c1
InChIInChI=1S/C16H28N2O2/c1-5-9-15(20-8-4)16(18-6-2)13-10-14(19-7-3)12-17-11-13/h10-12,15-16,18H,5-9H2,1-4H3
InChIKeyIMXLXVZDEIGYHS-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds10

About 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine

2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine (PubChem CID 116717966) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine
PubChem CID116717966
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1cncc(OCC)c1
InChIInChI=1S/C16H28N2O2/c1-5-9-15(20-8-4)16(18-6-2)13-10-14(19-7-3)12-17-11-13/h10-12,15-16,18H,5-9H2,1-4H3
InChIKeyIMXLXVZDEIGYHS-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718083
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 114519795
N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105175460
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986
2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 116718011
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine (CID 116717966) is 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine is CCCC(OCC)C(NCC)c1cncc(OCC)c1.
What is the InChIKey of 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine?
The InChIKey is IMXLXVZDEIGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-9-15(20-8-4)16(18-6-2)13-10-14(19-7-3)12-17-11-13/h10-12,15-16,18H,5-9H2,1-4H3.
What are the key properties of 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine?
2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-ethoxy-3-pyridinyl)-N-ethylpentan-1-amine is sourced from PubChem (CID 116717966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).