1-ethoxy-N,N-diethylethenamine

C8H17NO — CID 87965967

IUPAC1-ethoxy-N,N-diethylethenamine
SMILESC=C(OCC)N(CC)CC
InChIInChI=1S/C8H17NO/c1-5-9(6-2)8(4)10-7-3/h4-7H2,1-3H3
InChIKeyAWKKTNRZEVWMNM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.84
Rot. Bonds5

About 1-ethoxy-N,N-diethylethenamine

1-ethoxy-N,N-diethylethenamine (PubChem CID 87965967) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-ethoxy-N,N-diethylethenamine.

Molecular Properties

Compound Name1-ethoxy-N,N-diethylethenamine
PubChem CID87965967
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-ethoxy-N,N-diethylethenamine
SMILESC=C(OCC)N(CC)CC
InChIInChI=1S/C8H17NO/c1-5-9(6-2)8(4)10-7-3/h4-7H2,1-3H3
InChIKeyAWKKTNRZEVWMNM-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.84
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 1-ethoxy-N,N-diethylethenamine?
The IUPAC name of 1-ethoxy-N,N-diethylethenamine (CID 87965967) is 1-ethoxy-N,N-diethylethenamine.
What is the SMILES notation for 1-ethoxy-N,N-diethylethenamine?
The canonical SMILES for 1-ethoxy-N,N-diethylethenamine is C=C(OCC)N(CC)CC.
What is the InChIKey of 1-ethoxy-N,N-diethylethenamine?
The InChIKey is AWKKTNRZEVWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-9(6-2)8(4)10-7-3/h4-7H2,1-3H3.
What are the key properties of 1-ethoxy-N,N-diethylethenamine?
1-ethoxy-N,N-diethylethenamine has a molecular weight of 143.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,N-diethylethenamine is sourced from PubChem (CID 87965967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).