5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole

C15H25N — CID 160981483

IUPAC5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole
SMILESCC(C)C1(C(C)(C)C)CCC2=C(C=NC2)C1
InChIInChI=1S/C15H25N/c1-11(2)15(14(3,4)5)7-6-12-9-16-10-13(12)8-15/h10-11H,6-9H2,1-5H3
InChIKeyZJWHOKWAJIRHHH-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.24
Rot. Bonds1

About 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole

5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole (PubChem CID 160981483) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole.

Molecular Properties

Compound Name5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole
PubChem CID160981483
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole
SMILESCC(C)C1(C(C)(C)C)CCC2=C(C=NC2)C1
InChIInChI=1S/C15H25N/c1-11(2)15(14(3,4)5)7-6-12-9-16-10-13(12)8-15/h10-11H,6-9H2,1-5H3
InChIKeyZJWHOKWAJIRHHH-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole?
The IUPAC name of 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole (CID 160981483) is 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole.
What is the SMILES notation for 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole?
The canonical SMILES for 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole is CC(C)C1(C(C)(C)C)CCC2=C(C=NC2)C1.
What is the InChIKey of 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole?
The InChIKey is ZJWHOKWAJIRHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)15(14(3,4)5)7-6-12-9-16-10-13(12)8-15/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole?
5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole has a molecular weight of 219.37 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-propan-2-yl-1,4,6,7-tetrahydroisoindole is sourced from PubChem (CID 160981483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).