8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine

C21H37N3 — CID 170246685

IUPAC8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine
SMILESC=CCC(/C=C\C)N1CCN(CCCC/C(C=C(C)C)=N/C)CC1
InChIInChI=1S/C21H37N3/c1-6-10-21(11-7-2)24-16-14-23(15-17-24)13-9-8-12-20(22-5)18-19(3)4/h6-7,11,18,21H,1,8-10,12-17H2,2-5H3/b11-7-,22-20-
InChIKeyXZIPJLYRILZYGW-QKHOCTPZSA-N
MW331.55 g/mol
LogP4.33
Rot. Bonds10

About 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine

8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine (PubChem CID 170246685) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine.

Molecular Properties

Compound Name8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine
PubChem CID170246685
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC Name8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine
SMILESC=CCC(/C=C\C)N1CCN(CCCC/C(C=C(C)C)=N/C)CC1
InChIInChI=1S/C21H37N3/c1-6-10-21(11-7-2)24-16-14-23(15-17-24)13-9-8-12-20(22-5)18-19(3)4/h6-7,11,18,21H,1,8-10,12-17H2,2-5H3/b11-7-,22-20-
InChIKeyXZIPJLYRILZYGW-QKHOCTPZSA-N
XLogP4.33
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-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 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine?
The IUPAC name of 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine (CID 170246685) is 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine.
What is the SMILES notation for 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine?
The canonical SMILES for 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine is C=CCC(/C=C\C)N1CCN(CCCC/C(C=C(C)C)=N/C)CC1.
What is the InChIKey of 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine?
The InChIKey is XZIPJLYRILZYGW-QKHOCTPZSA-N. The full InChI is InChI=1S/C21H37N3/c1-6-10-21(11-7-2)24-16-14-23(15-17-24)13-9-8-12-20(22-5)18-19(3)4/h6-7,11,18,21H,1,8-10,12-17H2,2-5H3/b11-7-,22-20-.
What are the key properties of 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine?
8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine has a molecular weight of 331.55 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine is sourced from PubChem (CID 170246685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).