N'-(2,6-ditert-butylphenyl)methanediimine

C15H22N2 — CID 142719409

IUPACN'-(2,6-ditert-butylphenyl)methanediimine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1N=C=N
InChIInChI=1S/C15H22N2/c1-14(2,3)11-8-7-9-12(15(4,5)6)13(11)17-10-16/h7-9,16H,1-6H3
InChIKeyKTIJGIGYPHILSD-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.67
Rot. Bonds1

About N'-(2,6-ditert-butylphenyl)methanediimine

N'-(2,6-ditert-butylphenyl)methanediimine (PubChem CID 142719409) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-(2,6-ditert-butylphenyl)methanediimine.

Molecular Properties

Compound NameN'-(2,6-ditert-butylphenyl)methanediimine
PubChem CID142719409
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN'-(2,6-ditert-butylphenyl)methanediimine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1N=C=N
InChIInChI=1S/C15H22N2/c1-14(2,3)11-8-7-9-12(15(4,5)6)13(11)17-10-16/h7-9,16H,1-6H3
InChIKeyKTIJGIGYPHILSD-UHFFFAOYSA-N
XLogP4.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(2,6-ditert-butylphenyl)methanediimine?
The IUPAC name of N'-(2,6-ditert-butylphenyl)methanediimine (CID 142719409) is N'-(2,6-ditert-butylphenyl)methanediimine.
What is the SMILES notation for N'-(2,6-ditert-butylphenyl)methanediimine?
The canonical SMILES for N'-(2,6-ditert-butylphenyl)methanediimine is CC(C)(C)c1cccc(C(C)(C)C)c1N=C=N.
What is the InChIKey of N'-(2,6-ditert-butylphenyl)methanediimine?
The InChIKey is KTIJGIGYPHILSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)11-8-7-9-12(15(4,5)6)13(11)17-10-16/h7-9,16H,1-6H3.
What are the key properties of N'-(2,6-ditert-butylphenyl)methanediimine?
N'-(2,6-ditert-butylphenyl)methanediimine has a molecular weight of 230.35 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-ditert-butylphenyl)methanediimine is sourced from PubChem (CID 142719409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).