1-ethoxy-5-ethyloctan-4-amine

C12H27NO — CID 139313408

IUPAC1-ethoxy-5-ethyloctan-4-amine
SMILESCCCC(CC)C(N)CCCOCC
InChIInChI=1S/C12H27NO/c1-4-8-11(5-2)12(13)9-7-10-14-6-3/h11-12H,4-10,13H2,1-3H3
InChIKeyYFNHEYRHDHFOKV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds9

About 1-ethoxy-5-ethyloctan-4-amine

1-ethoxy-5-ethyloctan-4-amine (PubChem CID 139313408) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-ethoxy-5-ethyloctan-4-amine.

Molecular Properties

Compound Name1-ethoxy-5-ethyloctan-4-amine
PubChem CID139313408
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-ethoxy-5-ethyloctan-4-amine
SMILESCCCC(CC)C(N)CCCOCC
InChIInChI=1S/C12H27NO/c1-4-8-11(5-2)12(13)9-7-10-14-6-3/h11-12H,4-10,13H2,1-3H3
InChIKeyYFNHEYRHDHFOKV-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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 1-ethoxy-5-ethyloctan-4-amine?
The IUPAC name of 1-ethoxy-5-ethyloctan-4-amine (CID 139313408) is 1-ethoxy-5-ethyloctan-4-amine.
What is the SMILES notation for 1-ethoxy-5-ethyloctan-4-amine?
The canonical SMILES for 1-ethoxy-5-ethyloctan-4-amine is CCCC(CC)C(N)CCCOCC.
What is the InChIKey of 1-ethoxy-5-ethyloctan-4-amine?
The InChIKey is YFNHEYRHDHFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-8-11(5-2)12(13)9-7-10-14-6-3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 1-ethoxy-5-ethyloctan-4-amine?
1-ethoxy-5-ethyloctan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-ethyloctan-4-amine is sourced from PubChem (CID 139313408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).