6-bromo-3,3-dimethyl-2H-inden-1-imine

C11H12BrN — CID 70216126

IUPAC6-bromo-3,3-dimethyl-2H-inden-1-imine
SMILES[H]/N=C1\CC(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C11H12BrN/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,13H,6H2,1-2H3/b13-10+
InChIKeyPZFCEDKXTKLEHD-JLHYYAGUSA-N
MW238.13 g/mol
LogP3.50
Rot. Bonds

About 6-bromo-3,3-dimethyl-2H-inden-1-imine

6-bromo-3,3-dimethyl-2H-inden-1-imine (PubChem CID 70216126) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 6-bromo-3,3-dimethyl-2H-inden-1-imine.

Molecular Properties

Compound Name6-bromo-3,3-dimethyl-2H-inden-1-imine
PubChem CID70216126
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name6-bromo-3,3-dimethyl-2H-inden-1-imine
SMILES[H]/N=C1\CC(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C11H12BrN/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,13H,6H2,1-2H3/b13-10+
InChIKeyPZFCEDKXTKLEHD-JLHYYAGUSA-N
XLogP3.50
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-dimethyl-2H-inden-1-imine?
The IUPAC name of 6-bromo-3,3-dimethyl-2H-inden-1-imine (CID 70216126) is 6-bromo-3,3-dimethyl-2H-inden-1-imine.
What is the SMILES notation for 6-bromo-3,3-dimethyl-2H-inden-1-imine?
The canonical SMILES for 6-bromo-3,3-dimethyl-2H-inden-1-imine is [H]/N=C1\CC(C)(C)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3,3-dimethyl-2H-inden-1-imine?
The InChIKey is PZFCEDKXTKLEHD-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H12BrN/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,13H,6H2,1-2H3/b13-10+.
What are the key properties of 6-bromo-3,3-dimethyl-2H-inden-1-imine?
6-bromo-3,3-dimethyl-2H-inden-1-imine has a molecular weight of 238.13 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-dimethyl-2H-inden-1-imine is sourced from PubChem (CID 70216126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).