2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine

C9H16N2 — CID 12533827

IUPAC2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine
SMILESC1CCCN2CCN=C2CC1
InChIInChI=1S/C9H16N2/c1-2-4-7-11-8-6-10-9(11)5-3-1/h1-8H2
InChIKeyJUMZYZAFQQYJGI-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds

About 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine

2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine (PubChem CID 12533827) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine.

Molecular Properties

Compound Name2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine
PubChem CID12533827
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine
SMILESC1CCCN2CCN=C2CC1
InChIInChI=1S/C9H16N2/c1-2-4-7-11-8-6-10-9(11)5-3-1/h1-8H2
InChIKeyJUMZYZAFQQYJGI-UHFFFAOYSA-N
XLogP1.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine 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 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine?
The IUPAC name of 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine (CID 12533827) is 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine.
What is the SMILES notation for 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine?
The canonical SMILES for 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine is C1CCCN2CCN=C2CC1.
What is the InChIKey of 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine?
The InChIKey is JUMZYZAFQQYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-4-7-11-8-6-10-9(11)5-3-1/h1-8H2.
What are the key properties of 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine?
2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine has a molecular weight of 152.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8,9,10-octahydroimidazo[1,2-a]azocine is sourced from PubChem (CID 12533827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).