2,2-diethoxy-N-ethylethanamine

C8H19NO2 — CID 12503261

IUPAC2,2-diethoxy-N-ethylethanamine
SMILESCCNCC(OCC)OCC
InChIInChI=1S/C8H19NO2/c1-4-9-7-8(10-5-2)11-6-3/h8-9H,4-7H2,1-3H3
InChIKeyYSCNYKGRVUVJHA-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.00
Rot. Bonds7

About 2,2-diethoxy-N-ethylethanamine

2,2-diethoxy-N-ethylethanamine (PubChem CID 12503261) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,2-diethoxy-N-ethylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-ethylethanamine
PubChem CID12503261
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2,2-diethoxy-N-ethylethanamine
SMILESCCNCC(OCC)OCC
InChIInChI=1S/C8H19NO2/c1-4-9-7-8(10-5-2)11-6-3/h8-9H,4-7H2,1-3H3
InChIKeyYSCNYKGRVUVJHA-UHFFFAOYSA-N
XLogP1.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 2,2-diethoxy-N-ethylethanamine?
The IUPAC name of 2,2-diethoxy-N-ethylethanamine (CID 12503261) is 2,2-diethoxy-N-ethylethanamine.
What is the SMILES notation for 2,2-diethoxy-N-ethylethanamine?
The canonical SMILES for 2,2-diethoxy-N-ethylethanamine is CCNCC(OCC)OCC.
What is the InChIKey of 2,2-diethoxy-N-ethylethanamine?
The InChIKey is YSCNYKGRVUVJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-9-7-8(10-5-2)11-6-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-ethylethanamine?
2,2-diethoxy-N-ethylethanamine has a molecular weight of 161.25 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-ethylethanamine is sourced from PubChem (CID 12503261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).