3-(3-ethoxybutyl)-3-ethylazetidine

C11H23NO — CID 170260324

IUPAC3-(3-ethoxybutyl)-3-ethylazetidine
SMILESCCOC(C)CCC1(CC)CNC1
InChIInChI=1S/C11H23NO/c1-4-11(8-12-9-11)7-6-10(3)13-5-2/h10,12H,4-9H2,1-3H3
InChIKeyVUHXOQMOWLARDH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

About 3-(3-ethoxybutyl)-3-ethylazetidine

3-(3-ethoxybutyl)-3-ethylazetidine (PubChem CID 170260324) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(3-ethoxybutyl)-3-ethylazetidine.

Molecular Properties

Compound Name3-(3-ethoxybutyl)-3-ethylazetidine
PubChem CID170260324
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(3-ethoxybutyl)-3-ethylazetidine
SMILESCCOC(C)CCC1(CC)CNC1
InChIInChI=1S/C11H23NO/c1-4-11(8-12-9-11)7-6-10(3)13-5-2/h10,12H,4-9H2,1-3H3
InChIKeyVUHXOQMOWLARDH-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxybutyl)-3-ethylazetidine?
The IUPAC name of 3-(3-ethoxybutyl)-3-ethylazetidine (CID 170260324) is 3-(3-ethoxybutyl)-3-ethylazetidine.
What is the SMILES notation for 3-(3-ethoxybutyl)-3-ethylazetidine?
The canonical SMILES for 3-(3-ethoxybutyl)-3-ethylazetidine is CCOC(C)CCC1(CC)CNC1.
What is the InChIKey of 3-(3-ethoxybutyl)-3-ethylazetidine?
The InChIKey is VUHXOQMOWLARDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-11(8-12-9-11)7-6-10(3)13-5-2/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-(3-ethoxybutyl)-3-ethylazetidine?
3-(3-ethoxybutyl)-3-ethylazetidine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxybutyl)-3-ethylazetidine is sourced from PubChem (CID 170260324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).