3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine

C10H21NO2 — CID 174183888

IUPAC3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCOCC1CN(CCOC(C)C)C1
InChIInChI=1S/C10H21NO2/c1-9(2)13-5-4-11-6-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3
InChIKeyVOBRPLOVBSIJQG-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.99
Rot. Bonds6

About 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine

3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine (PubChem CID 174183888) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
PubChem CID174183888
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCOCC1CN(CCOC(C)C)C1
InChIInChI=1S/C10H21NO2/c1-9(2)13-5-4-11-6-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3
InChIKeyVOBRPLOVBSIJQG-UHFFFAOYSA-N
XLogP0.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine (CID 174183888) is 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine is COCC1CN(CCOC(C)C)C1.
What is the InChIKey of 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is VOBRPLOVBSIJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)13-5-4-11-6-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 187.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 174183888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).