2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol

C11H25NO3 — CID 63619203

IUPAC2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol
SMILESCCOC(CN(CCO)C(C)C)OCC
InChIInChI=1S/C11H25NO3/c1-5-14-11(15-6-2)9-12(7-8-13)10(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyGOMITIFZZPHODK-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.09
Rot. Bonds9

About 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol

2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol (PubChem CID 63619203) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol
PubChem CID63619203
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol
SMILESCCOC(CN(CCO)C(C)C)OCC
InChIInChI=1S/C11H25NO3/c1-5-14-11(15-6-2)9-12(7-8-13)10(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyGOMITIFZZPHODK-UHFFFAOYSA-N
XLogP1.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol (CID 63619203) is 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol is CCOC(CN(CCO)C(C)C)OCC.
What is the InChIKey of 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol?
The InChIKey is GOMITIFZZPHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-14-11(15-6-2)9-12(7-8-13)10(3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol?
2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol has a molecular weight of 219.32 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 63619203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).