2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol

C9H19NO2 — CID 104549344

IUPAC2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol
SMILESCC1(C)CN(CCOCCO)C1
InChIInChI=1S/C9H19NO2/c1-9(2)7-10(8-9)3-5-12-6-4-11/h11H,3-8H2,1-2H3
InChIKeyRFVBCDHYGJQSMU-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.34
Rot. Bonds5

About 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol

2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol (PubChem CID 104549344) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol
PubChem CID104549344
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol
SMILESCC1(C)CN(CCOCCO)C1
InChIInChI=1S/C9H19NO2/c1-9(2)7-10(8-9)3-5-12-6-4-11/h11H,3-8H2,1-2H3
InChIKeyRFVBCDHYGJQSMU-UHFFFAOYSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-azaspiro[3.6]decan-2-yl)ethoxy]ethanol
CID 104549348
5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
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2-(2-pyrrolidin-1-ylethoxy)ethanol
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2-[2-(3-aminoazetidin-1-yl)ethoxy]ethanol
CID 63761317
CID 11297515
CID 11297515
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol
CID 103536895
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]ethanol
CID 61069984
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
CID 62994663
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol (CID 104549344) is 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol is CC1(C)CN(CCOCCO)C1.
What is the InChIKey of 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol?
The InChIKey is RFVBCDHYGJQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)7-10(8-9)3-5-12-6-4-11/h11H,3-8H2,1-2H3.
What are the key properties of 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol?
2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol is sourced from PubChem (CID 104549344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).