2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole

C15H23N — CID 162779222

IUPAC2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole
SMILESCC(C)Cc1ccc2c(c1)C(C)(C)N(C)C2
InChIInChI=1S/C15H23N/c1-11(2)8-12-6-7-13-10-16(5)15(3,4)14(13)9-12/h6-7,9,11H,8,10H2,1-5H3
InChIKeyRCBOEYKMNZLHHT-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.57
Rot. Bonds2

About 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole

2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole (PubChem CID 162779222) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole.

Molecular Properties

Compound Name2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole
PubChem CID162779222
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole
SMILESCC(C)Cc1ccc2c(c1)C(C)(C)N(C)C2
InChIInChI=1S/C15H23N/c1-11(2)8-12-6-7-13-10-16(5)15(3,4)14(13)9-12/h6-7,9,11H,8,10H2,1-5H3
InChIKeyRCBOEYKMNZLHHT-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
5-(2-methylpropyl)-1H-indene
CID 18314914
ethane;5-(2-methylpropyl)-1H-indene
CID 162282663
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 130352020
7-(2-methylpropyl)-1,2-dihydronaphthalene
CID 162529552
3,3-bis(4-azidobutyl)-5-(2-methylpropyl)-1,2-dihydroindene
CID 139806498
5-(2-methylpropyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563296
4,4,5,5-tetramethyl-7-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]quinoline
CID 170539444
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole?
The IUPAC name of 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole (CID 162779222) is 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole.
What is the SMILES notation for 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole?
The canonical SMILES for 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole is CC(C)Cc1ccc2c(c1)C(C)(C)N(C)C2.
What is the InChIKey of 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole?
The InChIKey is RCBOEYKMNZLHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)8-12-6-7-13-10-16(5)15(3,4)14(13)9-12/h6-7,9,11H,8,10H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole?
2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole has a molecular weight of 217.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-5-(2-methylpropyl)-1H-isoindole is sourced from PubChem (CID 162779222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).