3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine

C9H19NO — CID 143678195

IUPAC3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine
SMILESC=C(OCC)C(CC)CNC
InChIInChI=1S/C9H19NO/c1-5-9(7-10-4)8(3)11-6-2/h9-10H,3,5-7H2,1-2,4H3
InChIKeyQHJCHCBYDAXPRP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.78
Rot. Bonds6

About 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine

3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine (PubChem CID 143678195) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine
PubChem CID143678195
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine
SMILESC=C(OCC)C(CC)CNC
InChIInChI=1S/C9H19NO/c1-5-9(7-10-4)8(3)11-6-2/h9-10H,3,5-7H2,1-2,4H3
InChIKeyQHJCHCBYDAXPRP-UHFFFAOYSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.78
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 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine (CID 143678195) is 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine is C=C(OCC)C(CC)CNC.
What is the InChIKey of 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine?
The InChIKey is QHJCHCBYDAXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(7-10-4)8(3)11-6-2/h9-10H,3,5-7H2,1-2,4H3.
What are the key properties of 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine?
3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-N-methylbut-3-en-1-amine is sourced from PubChem (CID 143678195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).