2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol

C9H19NO3 — CID 66472112

IUPAC2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCC1OCCCO1
InChIInChI=1S/C9H19NO3/c1-10(5-6-11)4-3-9-12-7-2-8-13-9/h9,11H,2-8H2,1H3
InChIKeyZBJFOHSOWDXIMF-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.06
Rot. Bonds5

About 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol

2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol (PubChem CID 66472112) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol
PubChem CID66472112
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCC1OCCCO1
InChIInChI=1S/C9H19NO3/c1-10(5-6-11)4-3-9-12-7-2-8-13-9/h9,11H,2-8H2,1H3
InChIKeyZBJFOHSOWDXIMF-UHFFFAOYSA-N
XLogP0.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol (CID 66472112) is 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol is CN(CCO)CCC1OCCCO1.
What is the InChIKey of 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol?
The InChIKey is ZBJFOHSOWDXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-10(5-6-11)4-3-9-12-7-2-8-13-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol?
2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol has a molecular weight of 189.25 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxan-2-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 66472112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).