3-(methoxymethyl)-3-propylazetidine

C8H17NO — CID 103985376

IUPAC3-(methoxymethyl)-3-propylazetidine
SMILESCCCC1(COC)CNC1
InChIInChI=1S/C8H17NO/c1-3-4-8(7-10-2)5-9-6-8/h9H,3-7H2,1-2H3
InChIKeyLQXHOVXAIYFMBU-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds4

About 3-(methoxymethyl)-3-propylazetidine

3-(methoxymethyl)-3-propylazetidine (PubChem CID 103985376) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(methoxymethyl)-3-propylazetidine.

Molecular Properties

Compound Name3-(methoxymethyl)-3-propylazetidine
PubChem CID103985376
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(methoxymethyl)-3-propylazetidine
SMILESCCCC1(COC)CNC1
InChIInChI=1S/C8H17NO/c1-3-4-8(7-10-2)5-9-6-8/h9H,3-7H2,1-2H3
InChIKeyLQXHOVXAIYFMBU-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3-propylazetidine?
The IUPAC name of 3-(methoxymethyl)-3-propylazetidine (CID 103985376) is 3-(methoxymethyl)-3-propylazetidine.
What is the SMILES notation for 3-(methoxymethyl)-3-propylazetidine?
The canonical SMILES for 3-(methoxymethyl)-3-propylazetidine is CCCC1(COC)CNC1.
What is the InChIKey of 3-(methoxymethyl)-3-propylazetidine?
The InChIKey is LQXHOVXAIYFMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-8(7-10-2)5-9-6-8/h9H,3-7H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-3-propylazetidine?
3-(methoxymethyl)-3-propylazetidine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3-propylazetidine is sourced from PubChem (CID 103985376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).