2-ethoxy-2-ethyloctan-1-amine

C12H27NO — CID 88828519

IUPAC2-ethoxy-2-ethyloctan-1-amine
SMILESCCCCCCC(CC)(CN)OCC
InChIInChI=1S/C12H27NO/c1-4-7-8-9-10-12(5-2,11-13)14-6-3/h4-11,13H2,1-3H3
InChIKeyPQABFTGOFHGZIR-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.10
Rot. Bonds9

About 2-ethoxy-2-ethyloctan-1-amine

2-ethoxy-2-ethyloctan-1-amine (PubChem CID 88828519) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-ethoxy-2-ethyloctan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyloctan-1-amine
PubChem CID88828519
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-ethoxy-2-ethyloctan-1-amine
SMILESCCCCCCC(CC)(CN)OCC
InChIInChI=1S/C12H27NO/c1-4-7-8-9-10-12(5-2,11-13)14-6-3/h4-11,13H2,1-3H3
InChIKeyPQABFTGOFHGZIR-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethoxy-2-ethyloctan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyloctan-1-amine (CID 88828519) is 2-ethoxy-2-ethyloctan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyloctan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyloctan-1-amine is CCCCCCC(CC)(CN)OCC.
What is the InChIKey of 2-ethoxy-2-ethyloctan-1-amine?
The InChIKey is PQABFTGOFHGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-8-9-10-12(5-2,11-13)14-6-3/h4-11,13H2,1-3H3.
What are the key properties of 2-ethoxy-2-ethyloctan-1-amine?
2-ethoxy-2-ethyloctan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyloctan-1-amine is sourced from PubChem (CID 88828519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).