4-ethoxyhex-1-en-3-amine

C8H17NO — CID 116716225

IUPAC4-ethoxyhex-1-en-3-amine
SMILESC=CC(N)C(CC)OCC
InChIInChI=1S/C8H17NO/c1-4-7(9)8(5-2)10-6-3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyPSKFBIMMXDKZBQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.31
Rot. Bonds5

About 4-ethoxyhex-1-en-3-amine

4-ethoxyhex-1-en-3-amine (PubChem CID 116716225) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-ethoxyhex-1-en-3-amine.

Molecular Properties

Compound Name4-ethoxyhex-1-en-3-amine
PubChem CID116716225
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-ethoxyhex-1-en-3-amine
SMILESC=CC(N)C(CC)OCC
InChIInChI=1S/C8H17NO/c1-4-7(9)8(5-2)10-6-3/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyPSKFBIMMXDKZBQ-UHFFFAOYSA-N
XLogP1.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxyhex-1-en-3-amine?
The IUPAC name of 4-ethoxyhex-1-en-3-amine (CID 116716225) is 4-ethoxyhex-1-en-3-amine.
What is the SMILES notation for 4-ethoxyhex-1-en-3-amine?
The canonical SMILES for 4-ethoxyhex-1-en-3-amine is C=CC(N)C(CC)OCC.
What is the InChIKey of 4-ethoxyhex-1-en-3-amine?
The InChIKey is PSKFBIMMXDKZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(9)8(5-2)10-6-3/h4,7-8H,1,5-6,9H2,2-3H3.
What are the key properties of 4-ethoxyhex-1-en-3-amine?
4-ethoxyhex-1-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyhex-1-en-3-amine is sourced from PubChem (CID 116716225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).