1,2-diethoxy-N,N-dimethylethanamine

C8H19NO2 — CID 88650398

IUPAC1,2-diethoxy-N,N-dimethylethanamine
SMILESCCOCC(OCC)N(C)C
InChIInChI=1S/C8H19NO2/c1-5-10-7-8(9(3)4)11-6-2/h8H,5-7H2,1-4H3
InChIKeyHTPJBLXQGLXHPK-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.95
Rot. Bonds6

About 1,2-diethoxy-N,N-dimethylethanamine

1,2-diethoxy-N,N-dimethylethanamine (PubChem CID 88650398) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2-diethoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name1,2-diethoxy-N,N-dimethylethanamine
PubChem CID88650398
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1,2-diethoxy-N,N-dimethylethanamine
SMILESCCOCC(OCC)N(C)C
InChIInChI=1S/C8H19NO2/c1-5-10-7-8(9(3)4)11-6-2/h8H,5-7H2,1-4H3
InChIKeyHTPJBLXQGLXHPK-UHFFFAOYSA-N
XLogP0.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-N,N-dimethylethanamine?
The IUPAC name of 1,2-diethoxy-N,N-dimethylethanamine (CID 88650398) is 1,2-diethoxy-N,N-dimethylethanamine.
What is the SMILES notation for 1,2-diethoxy-N,N-dimethylethanamine?
The canonical SMILES for 1,2-diethoxy-N,N-dimethylethanamine is CCOCC(OCC)N(C)C.
What is the InChIKey of 1,2-diethoxy-N,N-dimethylethanamine?
The InChIKey is HTPJBLXQGLXHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-10-7-8(9(3)4)11-6-2/h8H,5-7H2,1-4H3.
What are the key properties of 1,2-diethoxy-N,N-dimethylethanamine?
1,2-diethoxy-N,N-dimethylethanamine has a molecular weight of 161.25 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-N,N-dimethylethanamine is sourced from PubChem (CID 88650398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).