3-(2-butoxyethoxy)-3-methylazetidine

C10H21NO2 — CID 83066237

IUPAC3-(2-butoxyethoxy)-3-methylazetidine
SMILESCCCCOCCOC1(C)CNC1
InChIInChI=1S/C10H21NO2/c1-3-4-5-12-6-7-13-10(2)8-11-9-10/h11H,3-9H2,1-2H3
InChIKeyHJPPVLPDHUIQNE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds7

About 3-(2-butoxyethoxy)-3-methylazetidine

3-(2-butoxyethoxy)-3-methylazetidine (PubChem CID 83066237) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-3-methylazetidine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-3-methylazetidine
PubChem CID83066237
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(2-butoxyethoxy)-3-methylazetidine
SMILESCCCCOCCOC1(C)CNC1
InChIInChI=1S/C10H21NO2/c1-3-4-5-12-6-7-13-10(2)8-11-9-10/h11H,3-9H2,1-2H3
InChIKeyHJPPVLPDHUIQNE-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
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-methyl-3-octoxyazetidine
CID 83065433
3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine
CID 83066940
butyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658378
3-ethoxy-3-methylazetidine
CID 83066072
3-(2-butoxyethyl)-3-propylazetidine
CID 79452561
3-methyl-3-pent-4-enoxyazetidine
CID 83067660
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
N-(cyclopropylmethyl)-2-(3-methylazetidin-3-yl)oxyethanamine
CID 102656780
ethane;1-(2-propoxyethoxy)butane
CID 164535746
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]cyclobutanamine
CID 102657060
1-butoxybutane;methoxymethane
CID 18401298

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-3-methylazetidine?
The IUPAC name of 3-(2-butoxyethoxy)-3-methylazetidine (CID 83066237) is 3-(2-butoxyethoxy)-3-methylazetidine.
What is the SMILES notation for 3-(2-butoxyethoxy)-3-methylazetidine?
The canonical SMILES for 3-(2-butoxyethoxy)-3-methylazetidine is CCCCOCCOC1(C)CNC1.
What is the InChIKey of 3-(2-butoxyethoxy)-3-methylazetidine?
The InChIKey is HJPPVLPDHUIQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-12-6-7-13-10(2)8-11-9-10/h11H,3-9H2,1-2H3.
What are the key properties of 3-(2-butoxyethoxy)-3-methylazetidine?
3-(2-butoxyethoxy)-3-methylazetidine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-3-methylazetidine is sourced from PubChem (CID 83066237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).