1,2,3,3-tetraethyl-1H-isoindole

C16H25N — CID 22033891

IUPAC1,2,3,3-tetraethyl-1H-isoindole
SMILESCCC1c2ccccc2C(CC)(CC)N1CC
InChIInChI=1S/C16H25N/c1-5-15-13-11-9-10-12-14(13)16(6-2,7-3)17(15)8-4/h9-12,15H,5-8H2,1-4H3
InChIKeySNNIORKLUXJROC-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.49
Rot. Bonds4

About 1,2,3,3-tetraethyl-1H-isoindole

1,2,3,3-tetraethyl-1H-isoindole (PubChem CID 22033891) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1,2,3,3-tetraethyl-1H-isoindole.

Molecular Properties

Compound Name1,2,3,3-tetraethyl-1H-isoindole
PubChem CID22033891
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1,2,3,3-tetraethyl-1H-isoindole
SMILESCCC1c2ccccc2C(CC)(CC)N1CC
InChIInChI=1S/C16H25N/c1-5-15-13-11-9-10-12-14(13)16(6-2,7-3)17(15)8-4/h9-12,15H,5-8H2,1-4H3
InChIKeySNNIORKLUXJROC-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetraethyl-1H-isoindole?
The IUPAC name of 1,2,3,3-tetraethyl-1H-isoindole (CID 22033891) is 1,2,3,3-tetraethyl-1H-isoindole.
What is the SMILES notation for 1,2,3,3-tetraethyl-1H-isoindole?
The canonical SMILES for 1,2,3,3-tetraethyl-1H-isoindole is CCC1c2ccccc2C(CC)(CC)N1CC.
What is the InChIKey of 1,2,3,3-tetraethyl-1H-isoindole?
The InChIKey is SNNIORKLUXJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-15-13-11-9-10-12-14(13)16(6-2,7-3)17(15)8-4/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 1,2,3,3-tetraethyl-1H-isoindole?
1,2,3,3-tetraethyl-1H-isoindole has a molecular weight of 231.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetraethyl-1H-isoindole is sourced from PubChem (CID 22033891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).