2-ethyl-1-(oxan-4-ylmethyl)azetidine

C11H21NO — CID 67953689

IUPAC2-ethyl-1-(oxan-4-ylmethyl)azetidine
SMILESCCC1CCN1CC1CCOCC1
InChIInChI=1S/C11H21NO/c1-2-11-3-6-12(11)9-10-4-7-13-8-5-10/h10-11H,2-9H2,1H3
InChIKeyYEVITDPQZRLGGR-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds3

About 2-ethyl-1-(oxan-4-ylmethyl)azetidine

2-ethyl-1-(oxan-4-ylmethyl)azetidine (PubChem CID 67953689) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-ethyl-1-(oxan-4-ylmethyl)azetidine.

Molecular Properties

Compound Name2-ethyl-1-(oxan-4-ylmethyl)azetidine
PubChem CID67953689
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-ethyl-1-(oxan-4-ylmethyl)azetidine
SMILESCCC1CCN1CC1CCOCC1
InChIInChI=1S/C11H21NO/c1-2-11-3-6-12(11)9-10-4-7-13-8-5-10/h10-11H,2-9H2,1H3
InChIKeyYEVITDPQZRLGGR-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(oxan-4-ylmethyl)azetidine?
The IUPAC name of 2-ethyl-1-(oxan-4-ylmethyl)azetidine (CID 67953689) is 2-ethyl-1-(oxan-4-ylmethyl)azetidine.
What is the SMILES notation for 2-ethyl-1-(oxan-4-ylmethyl)azetidine?
The canonical SMILES for 2-ethyl-1-(oxan-4-ylmethyl)azetidine is CCC1CCN1CC1CCOCC1.
What is the InChIKey of 2-ethyl-1-(oxan-4-ylmethyl)azetidine?
The InChIKey is YEVITDPQZRLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11-3-6-12(11)9-10-4-7-13-8-5-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-ethyl-1-(oxan-4-ylmethyl)azetidine?
2-ethyl-1-(oxan-4-ylmethyl)azetidine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(oxan-4-ylmethyl)azetidine is sourced from PubChem (CID 67953689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).