N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine

C16H23N — CID 123469361

IUPACN-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine
SMILESC1=CCCCCC(/N=C2/CC=CCCCC2)=C1
InChIInChI=1S/C16H23N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h3,5,7,9,11H,1-2,4,6,8,10,12-14H2/b7-3?,9-5?,15-11?,17-16-
InChIKeyDGYNLUVOQRIJRU-KPTMFJEWSA-N
MW229.37 g/mol
LogP4.96
Rot. Bonds1

About N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine

N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine (PubChem CID 123469361) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine.

Molecular Properties

Compound NameN-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine
PubChem CID123469361
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine
SMILESC1=CCCCCC(/N=C2/CC=CCCCC2)=C1
InChIInChI=1S/C16H23N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h3,5,7,9,11H,1-2,4,6,8,10,12-14H2/b7-3?,9-5?,15-11?,17-16-
InChIKeyDGYNLUVOQRIJRU-KPTMFJEWSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine 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 N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine?
The IUPAC name of N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine (CID 123469361) is N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine.
What is the SMILES notation for N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine?
The canonical SMILES for N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine is C1=CCCCCC(/N=C2/CC=CCCCC2)=C1.
What is the InChIKey of N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine?
The InChIKey is DGYNLUVOQRIJRU-KPTMFJEWSA-N. The full InChI is InChI=1S/C16H23N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h3,5,7,9,11H,1-2,4,6,8,10,12-14H2/b7-3?,9-5?,15-11?,17-16-.
What are the key properties of N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine?
N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine is sourced from PubChem (CID 123469361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).