(E)-4-ethoxy-3-methylbut-2-en-1-amine

C7H15NO — CID 55290086

IUPAC(E)-4-ethoxy-3-methylbut-2-en-1-amine
SMILESCCOC/C(C)=C/CN
InChIInChI=1S/C7H15NO/c1-3-9-6-7(2)4-5-8/h4H,3,5-6,8H2,1-2H3/b7-4+
InChIKeyXBVDFYYSAXVKFT-QPJJXVBHSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds4

About (E)-4-ethoxy-3-methylbut-2-en-1-amine

(E)-4-ethoxy-3-methylbut-2-en-1-amine (PubChem CID 55290086) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-4-ethoxy-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-ethoxy-3-methylbut-2-en-1-amine
PubChem CID55290086
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-4-ethoxy-3-methylbut-2-en-1-amine
SMILESCCOC/C(C)=C/CN
InChIInChI=1S/C7H15NO/c1-3-9-6-7(2)4-5-8/h4H,3,5-6,8H2,1-2H3/b7-4+
InChIKeyXBVDFYYSAXVKFT-QPJJXVBHSA-N
XLogP0.93
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 ≤ 50.93
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 (E)-4-ethoxy-3-methylbut-2-en-1-amine?
The IUPAC name of (E)-4-ethoxy-3-methylbut-2-en-1-amine (CID 55290086) is (E)-4-ethoxy-3-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-ethoxy-3-methylbut-2-en-1-amine?
The canonical SMILES for (E)-4-ethoxy-3-methylbut-2-en-1-amine is CCOC/C(C)=C/CN.
What is the InChIKey of (E)-4-ethoxy-3-methylbut-2-en-1-amine?
The InChIKey is XBVDFYYSAXVKFT-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-9-6-7(2)4-5-8/h4H,3,5-6,8H2,1-2H3/b7-4+.
What are the key properties of (E)-4-ethoxy-3-methylbut-2-en-1-amine?
(E)-4-ethoxy-3-methylbut-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 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-2-en-1-amine is sourced from PubChem (CID 55290086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).