6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine

C16H28N2O2 — CID 43688384

IUPAC6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
SMILESCCCCCCC(C)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-8-14(2)18-15-9-10-16(17-13-15)20-12-11-19-3/h9-10,13-14,18H,4-8,11-12H2,1-3H3
InChIKeyUZCYMRCSVFSGFT-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.88
Rot. Bonds11

About 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine

6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine (PubChem CID 43688384) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
PubChem CID43688384
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
SMILESCCCCCCC(C)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-8-14(2)18-15-9-10-16(17-13-15)20-12-11-19-3/h9-10,13-14,18H,4-8,11-12H2,1-3H3
InChIKeyUZCYMRCSVFSGFT-UHFFFAOYSA-N
XLogP3.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine (CID 43688384) is 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine is CCCCCCC(C)Nc1ccc(OCCOC)nc1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
The InChIKey is UZCYMRCSVFSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-6-7-8-14(2)18-15-9-10-16(17-13-15)20-12-11-19-3/h9-10,13-14,18H,4-8,11-12H2,1-3H3.
What are the key properties of 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine?
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine has a molecular weight of 280.41 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine is sourced from PubChem (CID 43688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).