3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

C11H21NO — CID 169228979

IUPAC3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCCC1CN(CC2(COC)CC2)C1
InChIInChI=1S/C11H21NO/c1-3-10-6-12(7-10)8-11(4-5-11)9-13-2/h10H,3-9H2,1-2H3
InChIKeyIUHCIMWPFGPQAD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.75
Rot. Bonds5

About 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (PubChem CID 169228979) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.

Molecular Properties

Compound Name3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
PubChem CID169228979
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCCC1CN(CC2(COC)CC2)C1
InChIInChI=1S/C11H21NO/c1-3-10-6-12(7-10)8-11(4-5-11)9-13-2/h10H,3-9H2,1-2H3
InChIKeyIUHCIMWPFGPQAD-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The IUPAC name of 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (CID 169228979) is 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.
What is the SMILES notation for 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The canonical SMILES for 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is CCC1CN(CC2(COC)CC2)C1.
What is the InChIKey of 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The InChIKey is IUHCIMWPFGPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10-6-12(7-10)8-11(4-5-11)9-13-2/h10H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine has a molecular weight of 183.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is sourced from PubChem (CID 169228979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).