1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole

C16H23N — CID 65047102

IUPAC1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole
SMILESCCC1CCCCC1C1NCc2ccccc21
InChIInChI=1S/C16H23N/c1-2-12-7-3-5-9-14(12)16-15-10-6-4-8-13(15)11-17-16/h4,6,8,10,12,14,16-17H,2-3,5,7,9,11H2,1H3
InChIKeyNLCNNMUJSDBCDE-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.05
Rot. Bonds2

About 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole

1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole (PubChem CID 65047102) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole
PubChem CID65047102
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole
SMILESCCC1CCCCC1C1NCc2ccccc21
InChIInChI=1S/C16H23N/c1-2-12-7-3-5-9-14(12)16-15-10-6-4-8-13(15)11-17-16/h4,6,8,10,12,14,16-17H,2-3,5,7,9,11H2,1H3
InChIKeyNLCNNMUJSDBCDE-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole (CID 65047102) is 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole is CCC1CCCCC1C1NCc2ccccc21.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole?
The InChIKey is NLCNNMUJSDBCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-12-7-3-5-9-14(12)16-15-10-6-4-8-13(15)11-17-16/h4,6,8,10,12,14,16-17H,2-3,5,7,9,11H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole?
1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole has a molecular weight of 229.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65047102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).