4-ethoxy-N-methylbut-2-en-1-amine

C7H15NO — CID 54528970

IUPAC4-ethoxy-N-methylbut-2-en-1-amine
SMILESCCOCC=CCNC
InChIInChI=1S/C7H15NO/c1-3-9-7-5-4-6-8-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyQKLNHZYVXIPMOV-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.80
Rot. Bonds5

About 4-ethoxy-N-methylbut-2-en-1-amine

4-ethoxy-N-methylbut-2-en-1-amine (PubChem CID 54528970) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-ethoxy-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-methylbut-2-en-1-amine
PubChem CID54528970
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-ethoxy-N-methylbut-2-en-1-amine
SMILESCCOCC=CCNC
InChIInChI=1S/C7H15NO/c1-3-9-7-5-4-6-8-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyQKLNHZYVXIPMOV-UHFFFAOYSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methylbut-2-en-1-amine?
The IUPAC name of 4-ethoxy-N-methylbut-2-en-1-amine (CID 54528970) is 4-ethoxy-N-methylbut-2-en-1-amine.
What is the SMILES notation for 4-ethoxy-N-methylbut-2-en-1-amine?
The canonical SMILES for 4-ethoxy-N-methylbut-2-en-1-amine is CCOCC=CCNC.
What is the InChIKey of 4-ethoxy-N-methylbut-2-en-1-amine?
The InChIKey is QKLNHZYVXIPMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-9-7-5-4-6-8-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-ethoxy-N-methylbut-2-en-1-amine?
4-ethoxy-N-methylbut-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methylbut-2-en-1-amine is sourced from PubChem (CID 54528970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).