2-ethenoxy-N,N-dimethylethanamine

C6H13NO — CID 19240

IUPAC2-ethenoxy-N,N-dimethylethanamine
SMILESC=COCCN(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6-5-7(2)3/h4H,1,5-6H2,2-3H3
InChIKeyJWCDUUFOAZFFMX-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.71
Rot. Bonds4

About 2-ethenoxy-N,N-dimethylethanamine

2-ethenoxy-N,N-dimethylethanamine (PubChem CID 19240) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-ethenoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-ethenoxy-N,N-dimethylethanamine
PubChem CID19240
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-ethenoxy-N,N-dimethylethanamine
SMILESC=COCCN(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6-5-7(2)3/h4H,1,5-6H2,2-3H3
InChIKeyJWCDUUFOAZFFMX-UHFFFAOYSA-N
XLogP0.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-N,N-dimethylethanamine?
The IUPAC name of 2-ethenoxy-N,N-dimethylethanamine (CID 19240) is 2-ethenoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-ethenoxy-N,N-dimethylethanamine?
The canonical SMILES for 2-ethenoxy-N,N-dimethylethanamine is C=COCCN(C)C.
What is the InChIKey of 2-ethenoxy-N,N-dimethylethanamine?
The InChIKey is JWCDUUFOAZFFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-8-6-5-7(2)3/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenoxy-N,N-dimethylethanamine?
2-ethenoxy-N,N-dimethylethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-N,N-dimethylethanamine is sourced from PubChem (CID 19240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).