2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol

C9H21NO3 — CID 60686431

IUPAC2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol
SMILESCC(C)OCCN(CCO)CCO
InChIInChI=1S/C9H21NO3/c1-9(2)13-8-5-10(3-6-11)4-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyCPSJOLJTXHSSRI-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.30
Rot. Bonds8

About 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol

2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol (PubChem CID 60686431) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol
PubChem CID60686431
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol
SMILESCC(C)OCCN(CCO)CCO
InChIInChI=1S/C9H21NO3/c1-9(2)13-8-5-10(3-6-11)4-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyCPSJOLJTXHSSRI-UHFFFAOYSA-N
XLogP-0.30
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol (CID 60686431) is 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol is CC(C)OCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol?
The InChIKey is CPSJOLJTXHSSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(2)13-8-5-10(3-6-11)4-7-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol?
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol has a molecular weight of 191.27 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]ethanol is sourced from PubChem (CID 60686431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).