(E)-2-ethoxy-N,N-dimethylethenamine

C6H13NO — CID 15469240

IUPAC(E)-2-ethoxy-N,N-dimethylethenamine
SMILESCCO/C=C/N(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyKNAGBABVYYMJRI-AATRIKPKSA-N
MW115.18 g/mol
LogP1.06
Rot. Bonds3

About (E)-2-ethoxy-N,N-dimethylethenamine

(E)-2-ethoxy-N,N-dimethylethenamine (PubChem CID 15469240) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-2-ethoxy-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-ethoxy-N,N-dimethylethenamine
PubChem CID15469240
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E)-2-ethoxy-N,N-dimethylethenamine
SMILESCCO/C=C/N(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyKNAGBABVYYMJRI-AATRIKPKSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.06
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 (E)-2-ethoxy-N,N-dimethylethenamine?
The IUPAC name of (E)-2-ethoxy-N,N-dimethylethenamine (CID 15469240) is (E)-2-ethoxy-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-ethoxy-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-ethoxy-N,N-dimethylethenamine is CCO/C=C/N(C)C.
What is the InChIKey of (E)-2-ethoxy-N,N-dimethylethenamine?
The InChIKey is KNAGBABVYYMJRI-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-ethoxy-N,N-dimethylethenamine?
(E)-2-ethoxy-N,N-dimethylethenamine has a molecular weight of 115.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethoxy-N,N-dimethylethenamine is sourced from PubChem (CID 15469240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).