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

C12H25NO — CID 59481429

IUPAC3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine
SMILESCC(C)COCC1CN(CC(C)C)C1
InChIInChI=1S/C12H25NO/c1-10(2)5-13-6-12(7-13)9-14-8-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyYRJBPVOLJIJWCH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.25
Rot. Bonds6

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

3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine (PubChem CID 59481429) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine
PubChem CID59481429
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine
SMILESCC(C)COCC1CN(CC(C)C)C1
InChIInChI=1S/C12H25NO/c1-10(2)5-13-6-12(7-13)9-14-8-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyYRJBPVOLJIJWCH-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine?
The IUPAC name of 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine (CID 59481429) is 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine?
The canonical SMILES for 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine is CC(C)COCC1CN(CC(C)C)C1.
What is the InChIKey of 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine?
The InChIKey is YRJBPVOLJIJWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)5-13-6-12(7-13)9-14-8-11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine?
3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine has a molecular weight of 199.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxymethyl)-1-(2-methylpropyl)azetidine is sourced from PubChem (CID 59481429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).