3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine

C11H22N2O — CID 79677468

IUPAC3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine
SMILESCCOC1CC(N)C1N1CC(CC)C1
InChIInChI=1S/C11H22N2O/c1-3-8-6-13(7-8)11-9(12)5-10(11)14-4-2/h8-11H,3-7,12H2,1-2H3
InChIKeyVSFZESJMVKNPIC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds4

About 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine

3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine (PubChem CID 79677468) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine
PubChem CID79677468
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine
SMILESCCOC1CC(N)C1N1CC(CC)C1
InChIInChI=1S/C11H22N2O/c1-3-8-6-13(7-8)11-9(12)5-10(11)14-4-2/h8-11H,3-7,12H2,1-2H3
InChIKeyVSFZESJMVKNPIC-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine (CID 79677468) is 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine is CCOC1CC(N)C1N1CC(CC)C1.
What is the InChIKey of 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine?
The InChIKey is VSFZESJMVKNPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-8-6-13(7-8)11-9(12)5-10(11)14-4-2/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine?
3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 79677468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).