2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol

C11H23NO4 — CID 106309374

IUPAC2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol
SMILESCC1(C)OCC(NCCCOCCO)CO1
InChIInChI=1S/C11H23NO4/c1-11(2)15-8-10(9-16-11)12-4-3-6-14-7-5-13/h10,12-13H,3-9H2,1-2H3
InChIKeyNVWQSYPETIJUHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.13
Rot. Bonds7

About 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol

2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol (PubChem CID 106309374) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol
PubChem CID106309374
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol
SMILESCC1(C)OCC(NCCCOCCO)CO1
InChIInChI=1S/C11H23NO4/c1-11(2)15-8-10(9-16-11)12-4-3-6-14-7-5-13/h10,12-13H,3-9H2,1-2H3
InChIKeyNVWQSYPETIJUHT-UHFFFAOYSA-N
XLogP0.13
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
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-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol (CID 106309374) is 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol is CC1(C)OCC(NCCCOCCO)CO1.
What is the InChIKey of 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol?
The InChIKey is NVWQSYPETIJUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-11(2)15-8-10(9-16-11)12-4-3-6-14-7-5-13/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol?
2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol has a molecular weight of 233.31 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol is sourced from PubChem (CID 106309374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).