3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine

C11H23NO — CID 59481335

IUPAC3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine
SMILESCC(C)COC1CN(CC(C)C)C1
InChIInChI=1S/C11H23NO/c1-9(2)5-12-6-11(7-12)13-8-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyWAQPJHXDTWCCKM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.00
Rot. Bonds5

About 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine

3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine (PubChem CID 59481335) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine
PubChem CID59481335
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine
SMILESCC(C)COC1CN(CC(C)C)C1
InChIInChI=1S/C11H23NO/c1-9(2)5-12-6-11(7-12)13-8-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyWAQPJHXDTWCCKM-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine?
The IUPAC name of 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine (CID 59481335) is 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine?
The canonical SMILES for 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine is CC(C)COC1CN(CC(C)C)C1.
What is the InChIKey of 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine?
The InChIKey is WAQPJHXDTWCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)5-12-6-11(7-12)13-8-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine?
3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine has a molecular weight of 185.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-1-(2-methylpropyl)azetidine is sourced from PubChem (CID 59481335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).