2-ethoxy-N-ethylethenamine

C6H13NO — CID 58091156

IUPAC2-ethoxy-N-ethylethenamine
SMILESCCNC=COCC
InChIInChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h5-7H,3-4H2,1-2H3
InChIKeyVRFIFLGTLZJEPF-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.10
Rot. Bonds4

About 2-ethoxy-N-ethylethenamine

2-ethoxy-N-ethylethenamine (PubChem CID 58091156) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-ethoxy-N-ethylethenamine.

Molecular Properties

Compound Name2-ethoxy-N-ethylethenamine
PubChem CID58091156
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-ethoxy-N-ethylethenamine
SMILESCCNC=COCC
InChIInChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h5-7H,3-4H2,1-2H3
InChIKeyVRFIFLGTLZJEPF-UHFFFAOYSA-N
XLogP1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.10
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 2-ethoxy-N-ethylethenamine?
The IUPAC name of 2-ethoxy-N-ethylethenamine (CID 58091156) is 2-ethoxy-N-ethylethenamine.
What is the SMILES notation for 2-ethoxy-N-ethylethenamine?
The canonical SMILES for 2-ethoxy-N-ethylethenamine is CCNC=COCC.
What is the InChIKey of 2-ethoxy-N-ethylethenamine?
The InChIKey is VRFIFLGTLZJEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-7-5-6-8-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethylethenamine?
2-ethoxy-N-ethylethenamine has a molecular weight of 115.18 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethylethenamine is sourced from PubChem (CID 58091156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).