(3Z)-2,2,6-trimethyl-5H-azocine

C10H15N — CID 143216330

IUPAC(3Z)-2,2,6-trimethyl-5H-azocine
SMILESCC1=C/C=N\C(C)(C)/C=C\C1
InChIInChI=1S/C10H15N/c1-9-5-4-7-10(2,3)11-8-6-9/h4,6-8H,5H2,1-3H3/b7-4-,9-6?,11-8-
InChIKeyOCGVKJFWSVDFPG-HPOGJEJZSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds

About (3Z)-2,2,6-trimethyl-5H-azocine

(3Z)-2,2,6-trimethyl-5H-azocine (PubChem CID 143216330) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3Z)-2,2,6-trimethyl-5H-azocine.

Molecular Properties

Compound Name(3Z)-2,2,6-trimethyl-5H-azocine
PubChem CID143216330
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3Z)-2,2,6-trimethyl-5H-azocine
SMILESCC1=C/C=N\C(C)(C)/C=C\C1
InChIInChI=1S/C10H15N/c1-9-5-4-7-10(2,3)11-8-6-9/h4,6-8H,5H2,1-3H3/b7-4-,9-6?,11-8-
InChIKeyOCGVKJFWSVDFPG-HPOGJEJZSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-2,2,6-trimethyl-5H-azocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
2-methyl-2-pentenal N-allylimine
CID 129747538
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
2-But-2-enyl-2-ethylpyrrole
CID 57004955
2,2-Dimethylpyrrole
CID 57914006
(Z)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 58765980
(Z)-N-tert-butyl-4-methylpent-2-en-1-imine
CID 59848858
2,2,3-Trimethylazepine
CID 67621169
2,2-Dimethylazepine
CID 67754093
(3Z,5Z,8Z)-8-methyl-2,7-dihydroazecine
CID 70255489

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2,6-trimethyl-5H-azocine?
The IUPAC name of (3Z)-2,2,6-trimethyl-5H-azocine (CID 143216330) is (3Z)-2,2,6-trimethyl-5H-azocine.
What is the SMILES notation for (3Z)-2,2,6-trimethyl-5H-azocine?
The canonical SMILES for (3Z)-2,2,6-trimethyl-5H-azocine is CC1=C/C=N\C(C)(C)/C=C\C1.
What is the InChIKey of (3Z)-2,2,6-trimethyl-5H-azocine?
The InChIKey is OCGVKJFWSVDFPG-HPOGJEJZSA-N. The full InChI is InChI=1S/C10H15N/c1-9-5-4-7-10(2,3)11-8-6-9/h4,6-8H,5H2,1-3H3/b7-4-,9-6?,11-8-.
What are the key properties of (3Z)-2,2,6-trimethyl-5H-azocine?
(3Z)-2,2,6-trimethyl-5H-azocine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2,6-trimethyl-5H-azocine is sourced from PubChem (CID 143216330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).