2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol

C9H21NO2 — CID 18533828

IUPAC2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol
SMILESCC(C)(C)CN(CCO)CCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)8-10(4-6-11)5-7-12/h11-12H,4-8H2,1-3H3
InChIKeyPBQQGNNNCGCOOJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds5

About 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol

2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol (PubChem CID 18533828) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol
PubChem CID18533828
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol
SMILESCC(C)(C)CN(CCO)CCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)8-10(4-6-11)5-7-12/h11-12H,4-8H2,1-3H3
InChIKeyPBQQGNNNCGCOOJ-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol (CID 18533828) is 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol is CC(C)(C)CN(CCO)CCO.
What is the InChIKey of 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is PBQQGNNNCGCOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,3)8-10(4-6-11)5-7-12/h11-12H,4-8H2,1-3H3.
What are the key properties of 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol?
2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 18533828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).