3-(2-cyclobutyloxyethoxy)azetidine

C9H17NO2 — CID 165492875

IUPAC3-(2-cyclobutyloxyethoxy)azetidine
SMILESC1CC(OCCOC2CNC2)C1
InChIInChI=1S/C9H17NO2/c1-2-8(3-1)11-4-5-12-9-6-10-7-9/h8-10H,1-7H2
InChIKeyRCHWGHLPNXCHDY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds5

About 3-(2-cyclobutyloxyethoxy)azetidine

3-(2-cyclobutyloxyethoxy)azetidine (PubChem CID 165492875) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-cyclobutyloxyethoxy)azetidine.

Molecular Properties

Compound Name3-(2-cyclobutyloxyethoxy)azetidine
PubChem CID165492875
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2-cyclobutyloxyethoxy)azetidine
SMILESC1CC(OCCOC2CNC2)C1
InChIInChI=1S/C9H17NO2/c1-2-8(3-1)11-4-5-12-9-6-10-7-9/h8-10H,1-7H2
InChIKeyRCHWGHLPNXCHDY-UHFFFAOYSA-N
XLogP0.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
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

3-(cyclobutylmethoxy)azetidine;hydrochloride
CID 75365400
2-piperidin-3-yloxyethanol
CID 43197065
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
3-(4-fluorobutoxy)azetidine
CID 130549464
(3S)-3-(2-cyclobutylethoxy)pyrrolidine
CID 106201873
3-(2-butoxyethoxy)piperidine
CID 55151121
3-(azetidin-3-yloxy)propanenitrile;hydrochloride
CID 170627171
2-butoxyethoxycyclobutane
CID 150038799
3-ethoxyazetidine
CID 22507733
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
2-methoxyethoxycyclohexane
CID 20550469
butoxycyclobutane
CID 54057236

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyloxyethoxy)azetidine?
The IUPAC name of 3-(2-cyclobutyloxyethoxy)azetidine (CID 165492875) is 3-(2-cyclobutyloxyethoxy)azetidine.
What is the SMILES notation for 3-(2-cyclobutyloxyethoxy)azetidine?
The canonical SMILES for 3-(2-cyclobutyloxyethoxy)azetidine is C1CC(OCCOC2CNC2)C1.
What is the InChIKey of 3-(2-cyclobutyloxyethoxy)azetidine?
The InChIKey is RCHWGHLPNXCHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-8(3-1)11-4-5-12-9-6-10-7-9/h8-10H,1-7H2.
What are the key properties of 3-(2-cyclobutyloxyethoxy)azetidine?
3-(2-cyclobutyloxyethoxy)azetidine has a molecular weight of 171.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyloxyethoxy)azetidine is sourced from PubChem (CID 165492875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).