3,5-ditert-butyl-N,N-dimethylaniline

C16H27N — CID 22327738

IUPAC3,5-ditert-butyl-N,N-dimethylaniline
SMILESCN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-15(2,3)12-9-13(16(4,5)6)11-14(10-12)17(7)8/h9-11H,1-8H3
InChIKeyFIJRQSPKMCQFJU-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.35
Rot. Bonds1

About 3,5-ditert-butyl-N,N-dimethylaniline

3,5-ditert-butyl-N,N-dimethylaniline (PubChem CID 22327738) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,5-ditert-butyl-N,N-dimethylaniline.

Molecular Properties

Compound Name3,5-ditert-butyl-N,N-dimethylaniline
PubChem CID22327738
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,5-ditert-butyl-N,N-dimethylaniline
SMILESCN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-15(2,3)12-9-13(16(4,5)6)11-14(10-12)17(7)8/h9-11H,1-8H3
InChIKeyFIJRQSPKMCQFJU-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N,N-dimethylaniline?
The IUPAC name of 3,5-ditert-butyl-N,N-dimethylaniline (CID 22327738) is 3,5-ditert-butyl-N,N-dimethylaniline.
What is the SMILES notation for 3,5-ditert-butyl-N,N-dimethylaniline?
The canonical SMILES for 3,5-ditert-butyl-N,N-dimethylaniline is CN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N,N-dimethylaniline?
The InChIKey is FIJRQSPKMCQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-15(2,3)12-9-13(16(4,5)6)11-14(10-12)17(7)8/h9-11H,1-8H3.
What are the key properties of 3,5-ditert-butyl-N,N-dimethylaniline?
3,5-ditert-butyl-N,N-dimethylaniline has a molecular weight of 233.40 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N,N-dimethylaniline is sourced from PubChem (CID 22327738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).