1,1,3,3-tetramethyl-2H-isoindole

C12H17N — CID 641027

IUPAC1,1,3,3-tetramethyl-2H-isoindole
SMILESCC1(C)NC(C)(C)c2ccccc21
InChIInChI=1S/C12H17N/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8,13H,1-4H3
InChIKeyZAHPSFHHFNVYAR-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.76
Rot. Bonds

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

1,1,3,3-tetramethyl-2H-isoindole (PubChem CID 641027) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2H-isoindole.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2H-isoindole
PubChem CID641027
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1,1,3,3-tetramethyl-2H-isoindole
SMILESCC1(C)NC(C)(C)c2ccccc21
InChIInChI=1S/C12H17N/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8,13H,1-4H3
InChIKeyZAHPSFHHFNVYAR-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isoindoline
CID 422478
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
(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
N-(2-methylbenzyl)butan-1-amine
CID 487836
2-(2-Methylphenyl)pyrrolidine
CID 3861698
4-fluoro-2,3-dihydro-1H-isoindole
CID 14795867
5-methyl-2,3-dihydro-1H-isoindole
CID 23091937
2-((2-Methylphenyl)methyl)pyrrolidine
CID 3901706

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2H-isoindole?
The IUPAC name of 1,1,3,3-tetramethyl-2H-isoindole (CID 641027) is 1,1,3,3-tetramethyl-2H-isoindole.
What is the SMILES notation for 1,1,3,3-tetramethyl-2H-isoindole?
The canonical SMILES for 1,1,3,3-tetramethyl-2H-isoindole is CC1(C)NC(C)(C)c2ccccc21.
What is the InChIKey of 1,1,3,3-tetramethyl-2H-isoindole?
The InChIKey is ZAHPSFHHFNVYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8,13H,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2H-isoindole?
1,1,3,3-tetramethyl-2H-isoindole has a molecular weight of 175.28 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2H-isoindole is sourced from PubChem (CID 641027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).