4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole

C24H34N2 — CID 162048255

IUPAC4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole
SMILESCC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1cccc2c1CNC2
InChIInChI=1S/2C12H17N/c1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11/h2*4-6,13H,7-8H2,1-3H3
InChIKeyYYEUANZYLZOSMP-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.17
Rot. Bonds

About 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole

4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole (PubChem CID 162048255) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole
PubChem CID162048255
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole
SMILESCC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1cccc2c1CNC2
InChIInChI=1S/2C12H17N/c1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11/h2*4-6,13H,7-8H2,1-3H3
InChIKeyYYEUANZYLZOSMP-UHFFFAOYSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole with MolForge

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Related Compounds

2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine
CID 150286904
4-(trifluoromethyl)-2,3-dihydro-1H-isoindole;hydrochloride
CID 67486328
7,15,31,39-tetratert-butyl-3,19,27,43-tetraoxa-11,35-diazaheptacyclo[43.3.1.121,25.04,9.013,18.028,33.037,42]pentaconta-1(49),4(9),5,7,13(18),14,16,21(50),22,24,28(33),29,31,37(42),38,40,45,47-octadecaene
CID 10843364
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254
CID 23078665
CID 23078665
benzene;2,3-dihydro-1H-isoindole
CID 161490745
azane;2,3-dihydro-1H-isoindole
CID 23342931
ethane;N-methyl-2,3-dihydro-1H-isoindol-4-amine
CID 170747588
7-tert-butyl-2,3-dihydro-1H-indazole
CID 139452459
2,3-dihydro-1H-isoindole;propane
CID 143664117
8-tert-butyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2-yne
CID 140802813

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole (CID 162048255) is 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole is CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1cccc2c1CNC2.
What is the InChIKey of 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole?
The InChIKey is YYEUANZYLZOSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N/c1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11/h2*4-6,13H,7-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole?
4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole has a molecular weight of 350.55 g/mol, XLogP of 5.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydro-1H-isoindole;5-tert-butyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 162048255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).