3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine

C12H25NO2 — CID 103185145

IUPAC3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine
SMILESCCCC1(CCOCCCOC)CNC1
InChIInChI=1S/C12H25NO2/c1-3-5-12(10-13-11-12)6-9-15-8-4-7-14-2/h13H,3-11H2,1-2H3
InChIKeyOCZZBKDZNCBJOZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds9

About 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine

3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine (PubChem CID 103185145) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine
PubChem CID103185145
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine
SMILESCCCC1(CCOCCCOC)CNC1
InChIInChI=1S/C12H25NO2/c1-3-5-12(10-13-11-12)6-9-15-8-4-7-14-2/h13H,3-11H2,1-2H3
InChIKeyOCZZBKDZNCBJOZ-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
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-(2-butoxyethyl)-3-propylazetidine
CID 79452561
3-(methoxymethyl)-3-propylazetidine
CID 103985376
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
CID 103185009
3-(2-ethoxyethyl)-3-ethylazetidine
CID 79451036
[3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-3-yl]methanol
CID 66060294
1-(2-methoxyethyl)-1-propylcyclobutane
CID 164846249
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxy-4-methoxybutane
CID 13082830
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine (CID 103185145) is 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine is CCCC1(CCOCCCOC)CNC1.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine?
The InChIKey is OCZZBKDZNCBJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-12(10-13-11-12)6-9-15-8-4-7-14-2/h13H,3-11H2,1-2H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine?
3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine is sourced from PubChem (CID 103185145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).