3-methyl-3-(oxolan-3-ylmethoxy)azetidine

C9H17NO2 — CID 83066402

IUPAC3-methyl-3-(oxolan-3-ylmethoxy)azetidine
SMILESCC1(OCC2CCOC2)CNC1
InChIInChI=1S/C9H17NO2/c1-9(6-10-7-9)12-5-8-2-3-11-4-8/h8,10H,2-7H2,1H3
InChIKeyIPKVGNLXJOPCFK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.40
Rot. Bonds3

About 3-methyl-3-(oxolan-3-ylmethoxy)azetidine

3-methyl-3-(oxolan-3-ylmethoxy)azetidine (PubChem CID 83066402) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-3-(oxolan-3-ylmethoxy)azetidine.

Molecular Properties

Compound Name3-methyl-3-(oxolan-3-ylmethoxy)azetidine
PubChem CID83066402
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-3-(oxolan-3-ylmethoxy)azetidine
SMILESCC1(OCC2CCOC2)CNC1
InChIInChI=1S/C9H17NO2/c1-9(6-10-7-9)12-5-8-2-3-11-4-8/h8,10H,2-7H2,1H3
InChIKeyIPKVGNLXJOPCFK-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-(oxolan-3-ylmethoxymethyl)morpholine
CID 114775329
ethane;3-(methoxymethyl)oxolane
CID 143285946
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]oxolane
CID 114773793
N-methyl-2-[1-(oxolan-3-ylmethoxy)cyclobutyl]ethanamine
CID 103273960
3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
CID 62108159
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117226259
diethyl(oxolan-3-ylmethoxy)alumane
CID 139905311
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
CID 55036245

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxolan-3-ylmethoxy)azetidine?
The IUPAC name of 3-methyl-3-(oxolan-3-ylmethoxy)azetidine (CID 83066402) is 3-methyl-3-(oxolan-3-ylmethoxy)azetidine.
What is the SMILES notation for 3-methyl-3-(oxolan-3-ylmethoxy)azetidine?
The canonical SMILES for 3-methyl-3-(oxolan-3-ylmethoxy)azetidine is CC1(OCC2CCOC2)CNC1.
What is the InChIKey of 3-methyl-3-(oxolan-3-ylmethoxy)azetidine?
The InChIKey is IPKVGNLXJOPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(6-10-7-9)12-5-8-2-3-11-4-8/h8,10H,2-7H2,1H3.
What are the key properties of 3-methyl-3-(oxolan-3-ylmethoxy)azetidine?
3-methyl-3-(oxolan-3-ylmethoxy)azetidine has a molecular weight of 171.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxolan-3-ylmethoxy)azetidine is sourced from PubChem (CID 83066402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).