3-butoxy-1-tert-butylazetidine

C11H23NO — CID 135216689

IUPAC3-butoxy-1-tert-butylazetidine
SMILESCCCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-5-6-7-13-10-8-12(9-10)11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyWUPSOUGWRCDYPD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds4

About 3-butoxy-1-tert-butylazetidine

3-butoxy-1-tert-butylazetidine (PubChem CID 135216689) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-butoxy-1-tert-butylazetidine.

Molecular Properties

Compound Name3-butoxy-1-tert-butylazetidine
PubChem CID135216689
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-butoxy-1-tert-butylazetidine
SMILESCCCCOC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-5-6-7-13-10-8-12(9-10)11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyWUPSOUGWRCDYPD-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butoxy-1-tert-butylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-tert-butylazetidine?
The IUPAC name of 3-butoxy-1-tert-butylazetidine (CID 135216689) is 3-butoxy-1-tert-butylazetidine.
What is the SMILES notation for 3-butoxy-1-tert-butylazetidine?
The canonical SMILES for 3-butoxy-1-tert-butylazetidine is CCCCOC1CN(C(C)(C)C)C1.
What is the InChIKey of 3-butoxy-1-tert-butylazetidine?
The InChIKey is WUPSOUGWRCDYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-13-10-8-12(9-10)11(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 3-butoxy-1-tert-butylazetidine?
3-butoxy-1-tert-butylazetidine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-tert-butylazetidine is sourced from PubChem (CID 135216689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).