2-tert-butyl-4-(4-methylphenyl)azete;ethane

C16H23N — CID 170786371

IUPAC2-tert-butyl-4-(4-methylphenyl)azete;ethane
SMILESCC.Cc1ccc(C2=CC(C(C)(C)C)=N2)cc1
InChIInChI=1S/C14H17N.C2H6/c1-10-5-7-11(8-6-10)12-9-13(15-12)14(2,3)4;1-2/h5-9H,1-4H3;1-2H3
InChIKeyMPFUHQKNUXGDEB-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.86
Rot. Bonds1

About 2-tert-butyl-4-(4-methylphenyl)azete;ethane

2-tert-butyl-4-(4-methylphenyl)azete;ethane (PubChem CID 170786371) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-methylphenyl)azete;ethane.

Molecular Properties

Compound Name2-tert-butyl-4-(4-methylphenyl)azete;ethane
PubChem CID170786371
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-tert-butyl-4-(4-methylphenyl)azete;ethane
SMILESCC.Cc1ccc(C2=CC(C(C)(C)C)=N2)cc1
InChIInChI=1S/C14H17N.C2H6/c1-10-5-7-11(8-6-10)12-9-13(15-12)14(2,3)4;1-2/h5-9H,1-4H3;1-2H3
InChIKeyMPFUHQKNUXGDEB-UHFFFAOYSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-4-(4-methylphenyl)azete;ethane 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 2-tert-butyl-4-(4-methylphenyl)azete;ethane?
The IUPAC name of 2-tert-butyl-4-(4-methylphenyl)azete;ethane (CID 170786371) is 2-tert-butyl-4-(4-methylphenyl)azete;ethane.
What is the SMILES notation for 2-tert-butyl-4-(4-methylphenyl)azete;ethane?
The canonical SMILES for 2-tert-butyl-4-(4-methylphenyl)azete;ethane is CC.Cc1ccc(C2=CC(C(C)(C)C)=N2)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-methylphenyl)azete;ethane?
The InChIKey is MPFUHQKNUXGDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C2H6/c1-10-5-7-11(8-6-10)12-9-13(15-12)14(2,3)4;1-2/h5-9H,1-4H3;1-2H3.
What are the key properties of 2-tert-butyl-4-(4-methylphenyl)azete;ethane?
2-tert-butyl-4-(4-methylphenyl)azete;ethane has a molecular weight of 229.37 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-methylphenyl)azete;ethane is sourced from PubChem (CID 170786371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).