N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine

C14H21N — CID 10976566

IUPACN-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/C=N/C(C)(C)C)c(C)c1
InChIInChI=1S/C14H21N/c1-10-7-11(2)13(12(3)8-10)9-15-14(4,5)6/h7-9H,1-6H3/b15-9+
InChIKeyNFGUUYMHNVAVJP-OQLLNIDSSA-N
MW203.33 g/mol
LogP3.83
Rot. Bonds1

About N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine

N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine (PubChem CID 10976566) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine
PubChem CID10976566
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/C=N/C(C)(C)C)c(C)c1
InChIInChI=1S/C14H21N/c1-10-7-11(2)13(12(3)8-10)9-15-14(4,5)6/h7-9H,1-6H3/b15-9+
InChIKeyNFGUUYMHNVAVJP-OQLLNIDSSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine (CID 10976566) is N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/C=N/C(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is NFGUUYMHNVAVJP-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H21N/c1-10-7-11(2)13(12(3)8-10)9-15-14(4,5)6/h7-9H,1-6H3/b15-9+.
What are the key properties of N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine?
N-tert-butyl-1-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 203.33 g/mol, XLogP of 3.83, 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-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 10976566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).