(E)-4-ethoxy-3-methylbut-3-en-1-amine

C7H15NO — CID 55254422

IUPAC(E)-4-ethoxy-3-methylbut-3-en-1-amine
SMILESCCO/C=C(\C)CCN
InChIInChI=1S/C7H15NO/c1-3-9-6-7(2)4-5-8/h6H,3-5,8H2,1-2H3/b7-6+
InChIKeyQJPFFEHPWQEUFT-VOTSOKGWSA-N
MW129.20 g/mol
LogP1.28
Rot. Bonds4

About (E)-4-ethoxy-3-methylbut-3-en-1-amine

(E)-4-ethoxy-3-methylbut-3-en-1-amine (PubChem CID 55254422) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-4-ethoxy-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-ethoxy-3-methylbut-3-en-1-amine
PubChem CID55254422
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-4-ethoxy-3-methylbut-3-en-1-amine
SMILESCCO/C=C(\C)CCN
InChIInChI=1S/C7H15NO/c1-3-9-6-7(2)4-5-8/h6H,3-5,8H2,1-2H3/b7-6+
InChIKeyQJPFFEHPWQEUFT-VOTSOKGWSA-N
XLogP1.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethoxy-3-methylbut-3-en-1-amine?
The IUPAC name of (E)-4-ethoxy-3-methylbut-3-en-1-amine (CID 55254422) is (E)-4-ethoxy-3-methylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-ethoxy-3-methylbut-3-en-1-amine?
The canonical SMILES for (E)-4-ethoxy-3-methylbut-3-en-1-amine is CCO/C=C(\C)CCN.
What is the InChIKey of (E)-4-ethoxy-3-methylbut-3-en-1-amine?
The InChIKey is QJPFFEHPWQEUFT-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-9-6-7(2)4-5-8/h6H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of (E)-4-ethoxy-3-methylbut-3-en-1-amine?
(E)-4-ethoxy-3-methylbut-3-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethoxy-3-methylbut-3-en-1-amine is sourced from PubChem (CID 55254422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).