3-(2-ethylcyclohexyl)azetidine

C11H21N — CID 130510818

IUPAC3-(2-ethylcyclohexyl)azetidine
SMILESCCC1CCCCC1C1CNC1
InChIInChI=1S/C11H21N/c1-2-9-5-3-4-6-11(9)10-7-12-8-10/h9-12H,2-8H2,1H3
InChIKeyJXJBEGSDHPQFFN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds2

About 3-(2-ethylcyclohexyl)azetidine

3-(2-ethylcyclohexyl)azetidine (PubChem CID 130510818) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)azetidine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)azetidine
PubChem CID130510818
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-(2-ethylcyclohexyl)azetidine
SMILESCCC1CCCCC1C1CNC1
InChIInChI=1S/C11H21N/c1-2-9-5-3-4-6-11(9)10-7-12-8-10/h9-12H,2-8H2,1H3
InChIKeyJXJBEGSDHPQFFN-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)azetidine?
The IUPAC name of 3-(2-ethylcyclohexyl)azetidine (CID 130510818) is 3-(2-ethylcyclohexyl)azetidine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)azetidine?
The canonical SMILES for 3-(2-ethylcyclohexyl)azetidine is CCC1CCCCC1C1CNC1.
What is the InChIKey of 3-(2-ethylcyclohexyl)azetidine?
The InChIKey is JXJBEGSDHPQFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-9-5-3-4-6-11(9)10-7-12-8-10/h9-12H,2-8H2,1H3.
What are the key properties of 3-(2-ethylcyclohexyl)azetidine?
3-(2-ethylcyclohexyl)azetidine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)azetidine is sourced from PubChem (CID 130510818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).