2,2,5,5-tetramethylazocine

C11H17N — CID 123550534

IUPAC2,2,5,5-tetramethylazocine
SMILESCC1(C)C=C/C=N\C(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-10(2)6-5-9-12-11(3,4)8-7-10/h5-9H,1-4H3/b6-5?,8-7?,12-9-
InChIKeyOOOYEWWRWGWPRV-KTCRKGDSSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds

About 2,2,5,5-tetramethylazocine

2,2,5,5-tetramethylazocine (PubChem CID 123550534) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,2,5,5-tetramethylazocine.

Molecular Properties

Compound Name2,2,5,5-tetramethylazocine
PubChem CID123550534
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,2,5,5-tetramethylazocine
SMILESCC1(C)C=C/C=N\C(C)(C)C=C1
InChIInChI=1S/C11H17N/c1-10(2)6-5-9-12-11(3,4)8-7-10/h5-9H,1-4H3/b6-5?,8-7?,12-9-
InChIKeyOOOYEWWRWGWPRV-KTCRKGDSSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylazocine?
The IUPAC name of 2,2,5,5-tetramethylazocine (CID 123550534) is 2,2,5,5-tetramethylazocine.
What is the SMILES notation for 2,2,5,5-tetramethylazocine?
The canonical SMILES for 2,2,5,5-tetramethylazocine is CC1(C)C=C/C=N\C(C)(C)C=C1.
What is the InChIKey of 2,2,5,5-tetramethylazocine?
The InChIKey is OOOYEWWRWGWPRV-KTCRKGDSSA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)6-5-9-12-11(3,4)8-7-10/h5-9H,1-4H3/b6-5?,8-7?,12-9-.
What are the key properties of 2,2,5,5-tetramethylazocine?
2,2,5,5-tetramethylazocine has a molecular weight of 163.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylazocine is sourced from PubChem (CID 123550534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).