(2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine

C11H17N — CID 126707041

IUPAC(2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine
SMILESCCC/C1=C/C=N\C=C/CC1C
InChIInChI=1S/C11H17N/c1-3-5-11-7-9-12-8-4-6-10(11)2/h4,7-10H,3,5-6H2,1-2H3/b8-4-,11-7-,12-9-
InChIKeyMMJAOMOGXPUVAY-RUFBHACFSA-N
MW163.26 g/mol
LogP3.34
Rot. Bonds2

About (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine

(2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine (PubChem CID 126707041) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine.

Molecular Properties

Compound Name(2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine
PubChem CID126707041
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine
SMILESCCC/C1=C/C=N\C=C/CC1C
InChIInChI=1S/C11H17N/c1-3-5-11-7-9-12-8-4-6-10(11)2/h4,7-10H,3,5-6H2,1-2H3/b8-4-,11-7-,12-9-
InChIKeyMMJAOMOGXPUVAY-RUFBHACFSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine 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 (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine?
The IUPAC name of (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine (CID 126707041) is (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine.
What is the SMILES notation for (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine?
The canonical SMILES for (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine is CCC/C1=C/C=N\C=C/CC1C.
What is the InChIKey of (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine?
The InChIKey is MMJAOMOGXPUVAY-RUFBHACFSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-11-7-9-12-8-4-6-10(11)2/h4,7-10H,3,5-6H2,1-2H3/b8-4-,11-7-,12-9-.
What are the key properties of (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine?
(2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine has a molecular weight of 163.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-5-methyl-6-propyl-4,5-dihydroazocine is sourced from PubChem (CID 126707041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).