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

C16H25N — CID 10443911

IUPAC1,1,3,3-tetraethyl-2H-isoindole
SMILESCCC1(CC)NC(CC)(CC)c2ccccc21
InChIInChI=1S/C16H25N/c1-5-15(6-2)13-11-9-10-12-14(13)16(7-3,8-4)17-15/h9-12,17H,5-8H2,1-4H3
InChIKeyLMQJZPNTLDBCHC-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.32
Rot. Bonds4

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

1,1,3,3-tetraethyl-2H-isoindole (PubChem CID 10443911) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1,1,3,3-tetraethyl-2H-isoindole.

Molecular Properties

Compound Name1,1,3,3-tetraethyl-2H-isoindole
PubChem CID10443911
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1,1,3,3-tetraethyl-2H-isoindole
SMILESCCC1(CC)NC(CC)(CC)c2ccccc21
InChIInChI=1S/C16H25N/c1-5-15(6-2)13-11-9-10-12-14(13)16(7-3,8-4)17-15/h9-12,17H,5-8H2,1-4H3
InChIKeyLMQJZPNTLDBCHC-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isoindoline
CID 422478
Diphenyl isoindoline
CID 606734
1,8-Dimethyl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene
CID 12496517
9-Fluoro-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 19848666
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene
CID 15628834
(1S,10R)-1-methyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 44274647
(1S,9R)-1,9-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 44274648
1,3-Diphenyl-2,3-dihydro-1H-isoindole
CID 44361004
(1S,10R)-1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 44459928
(1R,10S)-1,10-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 44459948
2-Hexylisoindoline hydrobromide
CID 6602811

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraethyl-2H-isoindole?
The IUPAC name of 1,1,3,3-tetraethyl-2H-isoindole (CID 10443911) is 1,1,3,3-tetraethyl-2H-isoindole.
What is the SMILES notation for 1,1,3,3-tetraethyl-2H-isoindole?
The canonical SMILES for 1,1,3,3-tetraethyl-2H-isoindole is CCC1(CC)NC(CC)(CC)c2ccccc21.
What is the InChIKey of 1,1,3,3-tetraethyl-2H-isoindole?
The InChIKey is LMQJZPNTLDBCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-15(6-2)13-11-9-10-12-14(13)16(7-3,8-4)17-15/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 1,1,3,3-tetraethyl-2H-isoindole?
1,1,3,3-tetraethyl-2H-isoindole has a molecular weight of 231.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraethyl-2H-isoindole is sourced from PubChem (CID 10443911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).