1-ethyl-3-(2-methylpropoxy)azetidine

C9H19NO — CID 89024937

IUPAC1-ethyl-3-(2-methylpropoxy)azetidine
SMILESCCN1CC(OCC(C)C)C1
InChIInChI=1S/C9H19NO/c1-4-10-5-9(6-10)11-7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBMAZRUUBRDNSLW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds4

About 1-ethyl-3-(2-methylpropoxy)azetidine

1-ethyl-3-(2-methylpropoxy)azetidine (PubChem CID 89024937) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropoxy)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropoxy)azetidine
PubChem CID89024937
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-ethyl-3-(2-methylpropoxy)azetidine
SMILESCCN1CC(OCC(C)C)C1
InChIInChI=1S/C9H19NO/c1-4-10-5-9(6-10)11-7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyBMAZRUUBRDNSLW-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropoxy)azetidine?
The IUPAC name of 1-ethyl-3-(2-methylpropoxy)azetidine (CID 89024937) is 1-ethyl-3-(2-methylpropoxy)azetidine.
What is the SMILES notation for 1-ethyl-3-(2-methylpropoxy)azetidine?
The canonical SMILES for 1-ethyl-3-(2-methylpropoxy)azetidine is CCN1CC(OCC(C)C)C1.
What is the InChIKey of 1-ethyl-3-(2-methylpropoxy)azetidine?
The InChIKey is BMAZRUUBRDNSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10-5-9(6-10)11-7-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-3-(2-methylpropoxy)azetidine?
1-ethyl-3-(2-methylpropoxy)azetidine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropoxy)azetidine is sourced from PubChem (CID 89024937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).