1,4-ditert-butyl-2,3-dimethyl-2H-azete

C13H25N — CID 21133051

IUPAC1,4-ditert-butyl-2,3-dimethyl-2H-azete
SMILESCC1=C(C(C)(C)C)N(C(C)(C)C)C1C
InChIInChI=1S/C13H25N/c1-9-10(2)14(13(6,7)8)11(9)12(3,4)5/h10H,1-8H3
InChIKeyWHXSMNYDXBDYGE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.81
Rot. Bonds

About 1,4-ditert-butyl-2,3-dimethyl-2H-azete

1,4-ditert-butyl-2,3-dimethyl-2H-azete (PubChem CID 21133051) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,3-dimethyl-2H-azete.

Molecular Properties

Compound Name1,4-ditert-butyl-2,3-dimethyl-2H-azete
PubChem CID21133051
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,4-ditert-butyl-2,3-dimethyl-2H-azete
SMILESCC1=C(C(C)(C)C)N(C(C)(C)C)C1C
InChIInChI=1S/C13H25N/c1-9-10(2)14(13(6,7)8)11(9)12(3,4)5/h10H,1-8H3
InChIKeyWHXSMNYDXBDYGE-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-ditert-butyl-2,3-dimethyl-2H-azete 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 1,4-ditert-butyl-2,3-dimethyl-2H-azete?
The IUPAC name of 1,4-ditert-butyl-2,3-dimethyl-2H-azete (CID 21133051) is 1,4-ditert-butyl-2,3-dimethyl-2H-azete.
What is the SMILES notation for 1,4-ditert-butyl-2,3-dimethyl-2H-azete?
The canonical SMILES for 1,4-ditert-butyl-2,3-dimethyl-2H-azete is CC1=C(C(C)(C)C)N(C(C)(C)C)C1C.
What is the InChIKey of 1,4-ditert-butyl-2,3-dimethyl-2H-azete?
The InChIKey is WHXSMNYDXBDYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9-10(2)14(13(6,7)8)11(9)12(3,4)5/h10H,1-8H3.
What are the key properties of 1,4-ditert-butyl-2,3-dimethyl-2H-azete?
1,4-ditert-butyl-2,3-dimethyl-2H-azete has a molecular weight of 195.35 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,3-dimethyl-2H-azete is sourced from PubChem (CID 21133051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).