3-(butoxymethyl)-1-ethylazetidine

C10H21NO — CID 155411506

IUPAC3-(butoxymethyl)-1-ethylazetidine
SMILESCCCCOCC1CN(CC)C1
InChIInChI=1S/C10H21NO/c1-3-5-6-12-9-10-7-11(4-2)8-10/h10H,3-9H2,1-2H3
InChIKeyBZBYYSCBYGJKIF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds6

About 3-(butoxymethyl)-1-ethylazetidine

3-(butoxymethyl)-1-ethylazetidine (PubChem CID 155411506) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(butoxymethyl)-1-ethylazetidine.

Molecular Properties

Compound Name3-(butoxymethyl)-1-ethylazetidine
PubChem CID155411506
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(butoxymethyl)-1-ethylazetidine
SMILESCCCCOCC1CN(CC)C1
InChIInChI=1S/C10H21NO/c1-3-5-6-12-9-10-7-11(4-2)8-10/h10H,3-9H2,1-2H3
InChIKeyBZBYYSCBYGJKIF-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(butoxymethyl)-1-ethylazetidine?
The IUPAC name of 3-(butoxymethyl)-1-ethylazetidine (CID 155411506) is 3-(butoxymethyl)-1-ethylazetidine.
What is the SMILES notation for 3-(butoxymethyl)-1-ethylazetidine?
The canonical SMILES for 3-(butoxymethyl)-1-ethylazetidine is CCCCOCC1CN(CC)C1.
What is the InChIKey of 3-(butoxymethyl)-1-ethylazetidine?
The InChIKey is BZBYYSCBYGJKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-12-9-10-7-11(4-2)8-10/h10H,3-9H2,1-2H3.
What are the key properties of 3-(butoxymethyl)-1-ethylazetidine?
3-(butoxymethyl)-1-ethylazetidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-1-ethylazetidine is sourced from PubChem (CID 155411506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).