2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine

C12H26N2O3 — CID 58441900

IUPAC2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCCOC(CNCCN1CCOCC1)OCC
InChIInChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)11-13-5-6-14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyQYUJEKXHCUHIDB-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.31
Rot. Bonds9

About 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine

2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine (PubChem CID 58441900) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine
PubChem CID58441900
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCCOC(CNCCN1CCOCC1)OCC
InChIInChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)11-13-5-6-14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyQYUJEKXHCUHIDB-UHFFFAOYSA-N
XLogP0.31
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-morpholin-4-ylethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine (CID 58441900) is 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine is CCOC(CNCCN1CCOCC1)OCC.
What is the InChIKey of 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine?
The InChIKey is QYUJEKXHCUHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)11-13-5-6-14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine?
2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 0.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-(2-morpholin-4-ylethyl)ethanamine is sourced from PubChem (CID 58441900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).