3-ethoxy-N,N-diethylbut-3-en-1-amine

C10H21NO — CID 12572539

IUPAC3-ethoxy-N,N-diethylbut-3-en-1-amine
SMILESC=C(CCN(CC)CC)OCC
InChIInChI=1S/C10H21NO/c1-5-11(6-2)9-8-10(4)12-7-3/h4-9H2,1-3H3
InChIKeyKIKXIWHRSBICGO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.27
Rot. Bonds7

About 3-ethoxy-N,N-diethylbut-3-en-1-amine

3-ethoxy-N,N-diethylbut-3-en-1-amine (PubChem CID 12572539) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-ethoxy-N,N-diethylbut-3-en-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,N-diethylbut-3-en-1-amine
PubChem CID12572539
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-ethoxy-N,N-diethylbut-3-en-1-amine
SMILESC=C(CCN(CC)CC)OCC
InChIInChI=1S/C10H21NO/c1-5-11(6-2)9-8-10(4)12-7-3/h4-9H2,1-3H3
InChIKeyKIKXIWHRSBICGO-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
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-N,N-diethylbut-3-en-1-amine?
The IUPAC name of 3-ethoxy-N,N-diethylbut-3-en-1-amine (CID 12572539) is 3-ethoxy-N,N-diethylbut-3-en-1-amine.
What is the SMILES notation for 3-ethoxy-N,N-diethylbut-3-en-1-amine?
The canonical SMILES for 3-ethoxy-N,N-diethylbut-3-en-1-amine is C=C(CCN(CC)CC)OCC.
What is the InChIKey of 3-ethoxy-N,N-diethylbut-3-en-1-amine?
The InChIKey is KIKXIWHRSBICGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-11(6-2)9-8-10(4)12-7-3/h4-9H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-diethylbut-3-en-1-amine?
3-ethoxy-N,N-diethylbut-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-diethylbut-3-en-1-amine is sourced from PubChem (CID 12572539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).