(2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine

C12H19N — CID 123462793

IUPAC(2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine
SMILESCCCC/C1=C/N=C\C=C/CC1C
InChIInChI=1S/C12H19N/c1-3-4-8-12-10-13-9-6-5-7-11(12)2/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5-,12-10-,13-9-
InChIKeySOAAZBMRKLRXEG-ZHLSGFAYSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds3

About (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine

(2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine (PubChem CID 123462793) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine.

Molecular Properties

Compound Name(2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine
PubChem CID123462793
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine
SMILESCCCC/C1=C/N=C\C=C/CC1C
InChIInChI=1S/C12H19N/c1-3-4-8-12-10-13-9-6-5-7-11(12)2/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5-,12-10-,13-9-
InChIKeySOAAZBMRKLRXEG-ZHLSGFAYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z,6Z)-3-butyl-4-methyl-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 (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine?
The IUPAC name of (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine (CID 123462793) is (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine.
What is the SMILES notation for (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine?
The canonical SMILES for (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine is CCCC/C1=C/N=C\C=C/CC1C.
What is the InChIKey of (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine?
The InChIKey is SOAAZBMRKLRXEG-ZHLSGFAYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-8-12-10-13-9-6-5-7-11(12)2/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5-,12-10-,13-9-.
What are the key properties of (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine?
(2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-3-butyl-4-methyl-4,5-dihydroazocine is sourced from PubChem (CID 123462793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).