2,3,7,8-tetramethyl-4,5-dihydroazocine

C11H17N — CID 90771622

IUPAC2,3,7,8-tetramethyl-4,5-dihydroazocine
SMILESCC1=CCCC(C)=C(C)/N=C\1C
InChIInChI=1S/C11H17N/c1-8-6-5-7-9(2)11(4)12-10(8)3/h6H,5,7H2,1-4H3/b8-6?,11-9?,12-10-
InChIKeyHZYRUJPZPSFPHR-TZEWADIFSA-N
MW163.26 g/mol
LogP3.48
Rot. Bonds

About 2,3,7,8-tetramethyl-4,5-dihydroazocine

2,3,7,8-tetramethyl-4,5-dihydroazocine (PubChem CID 90771622) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,3,7,8-tetramethyl-4,5-dihydroazocine.

Molecular Properties

Compound Name2,3,7,8-tetramethyl-4,5-dihydroazocine
PubChem CID90771622
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,3,7,8-tetramethyl-4,5-dihydroazocine
SMILESCC1=CCCC(C)=C(C)/N=C\1C
InChIInChI=1S/C11H17N/c1-8-6-5-7-9(2)11(4)12-10(8)3/h6H,5,7H2,1-4H3/b8-6?,11-9?,12-10-
InChIKeyHZYRUJPZPSFPHR-TZEWADIFSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethyl-4,5-dihydroazocine?
The IUPAC name of 2,3,7,8-tetramethyl-4,5-dihydroazocine (CID 90771622) is 2,3,7,8-tetramethyl-4,5-dihydroazocine.
What is the SMILES notation for 2,3,7,8-tetramethyl-4,5-dihydroazocine?
The canonical SMILES for 2,3,7,8-tetramethyl-4,5-dihydroazocine is CC1=CCCC(C)=C(C)/N=C\1C.
What is the InChIKey of 2,3,7,8-tetramethyl-4,5-dihydroazocine?
The InChIKey is HZYRUJPZPSFPHR-TZEWADIFSA-N. The full InChI is InChI=1S/C11H17N/c1-8-6-5-7-9(2)11(4)12-10(8)3/h6H,5,7H2,1-4H3/b8-6?,11-9?,12-10-.
What are the key properties of 2,3,7,8-tetramethyl-4,5-dihydroazocine?
2,3,7,8-tetramethyl-4,5-dihydroazocine has a molecular weight of 163.26 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethyl-4,5-dihydroazocine is sourced from PubChem (CID 90771622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).