3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine

C12H25NO — CID 134576654

IUPAC3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine
SMILESCCN1CC(OC(C)(C)CC(C)C)C1
InChIInChI=1S/C12H25NO/c1-6-13-8-11(9-13)14-12(4,5)7-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyWELNJRNROCZOLG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine

3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine (PubChem CID 134576654) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine.

Molecular Properties

Compound Name3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine
PubChem CID134576654
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine
SMILESCCN1CC(OC(C)(C)CC(C)C)C1
InChIInChI=1S/C12H25NO/c1-6-13-8-11(9-13)14-12(4,5)7-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyWELNJRNROCZOLG-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine?
The IUPAC name of 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine (CID 134576654) is 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine.
What is the SMILES notation for 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine?
The canonical SMILES for 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine is CCN1CC(OC(C)(C)CC(C)C)C1.
What is the InChIKey of 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine?
The InChIKey is WELNJRNROCZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-13-8-11(9-13)14-12(4,5)7-10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine?
3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentan-2-yloxy)-1-ethylazetidine is sourced from PubChem (CID 134576654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).