2-(2-ethylcyclohexyl)-3H-isoindol-1-imine

C16H22N2 — CID 63534603

IUPAC2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1C1CCCCC1CC
InChIInChI=1S/C16H22N2/c1-2-12-7-4-6-10-15(12)18-11-13-8-3-5-9-14(13)16(18)17/h3,5,8-9,12,15,17H,2,4,6-7,10-11H2,1H3/b17-16+
InChIKeyRKXAFEJZIUOHCO-WUKNDPDISA-N
MW242.37 g/mol
LogP3.80
Rot. Bonds2

About 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine

2-(2-ethylcyclohexyl)-3H-isoindol-1-imine (PubChem CID 63534603) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
PubChem CID63534603
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1C1CCCCC1CC
InChIInChI=1S/C16H22N2/c1-2-12-7-4-6-10-15(12)18-11-13-8-3-5-9-14(13)16(18)17/h3,5,8-9,12,15,17H,2,4,6-7,10-11H2,1H3/b17-16+
InChIKeyRKXAFEJZIUOHCO-WUKNDPDISA-N
XLogP3.80
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine (CID 63534603) is 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1C1CCCCC1CC.
What is the InChIKey of 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine?
The InChIKey is RKXAFEJZIUOHCO-WUKNDPDISA-N. The full InChI is InChI=1S/C16H22N2/c1-2-12-7-4-6-10-15(12)18-11-13-8-3-5-9-14(13)16(18)17/h3,5,8-9,12,15,17H,2,4,6-7,10-11H2,1H3/b17-16+.
What are the key properties of 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine?
2-(2-ethylcyclohexyl)-3H-isoindol-1-imine has a molecular weight of 242.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)-3H-isoindol-1-imine is sourced from PubChem (CID 63534603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).