N-tert-butyl-1-(2,3-dimethylphenyl)methanimine

C13H19N — CID 89349479

IUPACN-tert-butyl-1-(2,3-dimethylphenyl)methanimine
SMILESCc1cccc(/C=N/C(C)(C)C)c1C
InChIInChI=1S/C13H19N/c1-10-7-6-8-12(11(10)2)9-14-13(3,4)5/h6-9H,1-5H3/b14-9+
InChIKeyCDLLIFGAZMFQFC-NTEUORMPSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds1

About N-tert-butyl-1-(2,3-dimethylphenyl)methanimine

N-tert-butyl-1-(2,3-dimethylphenyl)methanimine (PubChem CID 89349479) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-tert-butyl-1-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2,3-dimethylphenyl)methanimine
PubChem CID89349479
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-tert-butyl-1-(2,3-dimethylphenyl)methanimine
SMILESCc1cccc(/C=N/C(C)(C)C)c1C
InChIInChI=1S/C13H19N/c1-10-7-6-8-12(11(10)2)9-14-13(3,4)5/h6-9H,1-5H3/b14-9+
InChIKeyCDLLIFGAZMFQFC-NTEUORMPSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
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 N-tert-butyl-1-(2,3-dimethylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2,3-dimethylphenyl)methanimine (CID 89349479) is N-tert-butyl-1-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2,3-dimethylphenyl)methanimine is Cc1cccc(/C=N/C(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-1-(2,3-dimethylphenyl)methanimine?
The InChIKey is CDLLIFGAZMFQFC-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19N/c1-10-7-6-8-12(11(10)2)9-14-13(3,4)5/h6-9H,1-5H3/b14-9+.
What are the key properties of N-tert-butyl-1-(2,3-dimethylphenyl)methanimine?
N-tert-butyl-1-(2,3-dimethylphenyl)methanimine has a molecular weight of 189.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 89349479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).