2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine

C16H36N2O3 — CID 3047078

IUPAC2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOCCOCCN(CC)CC
InChIInChI=1S/C16H36N2O3/c1-5-17(6-2)9-11-19-13-15-21-16-14-20-12-10-18(7-3)8-4/h5-16H2,1-4H3
InChIKeyVRPCDJKWZZJOET-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.72
Rot. Bonds16

About 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine

2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine (PubChem CID 3047078) has the molecular formula C16H36N2O3 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine
PubChem CID3047078
Molecular FormulaC16H36N2O3
Molecular Weight304.48 g/mol
Exact Mass304.27
IUPAC Name2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCCOCCOCCN(CC)CC
InChIInChI=1S/C16H36N2O3/c1-5-17(6-2)9-11-19-13-15-21-16-14-20-12-10-18(7-3)8-4/h5-16H2,1-4H3
InChIKeyVRPCDJKWZZJOET-UHFFFAOYSA-N
XLogP1.72
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine (CID 3047078) is 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine is CCN(CC)CCOCCOCCOCCN(CC)CC.
What is the InChIKey of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine?
The InChIKey is VRPCDJKWZZJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O3/c1-5-17(6-2)9-11-19-13-15-21-16-14-20-12-10-18(7-3)8-4/h5-16H2,1-4H3.
What are the key properties of 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine?
2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine has a molecular weight of 304.48 g/mol, XLogP of 1.72, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(diethylamino)ethoxy]ethoxy]ethoxy]-N,N-diethylethanamine is sourced from PubChem (CID 3047078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).