4-ethenyl-N,2-dimethylhept-4-en-1-imine

C11H19N — CID 91556772

IUPAC4-ethenyl-N,2-dimethylhept-4-en-1-imine
SMILESC=CC(=CCC)CC(C)/C=N/C
InChIInChI=1S/C11H19N/c1-5-7-11(6-2)8-10(3)9-12-4/h6-7,9-10H,2,5,8H2,1,3-4H3/b11-7?,12-9+
InChIKeyMIQIBVFAWDLDLQ-QLYYFUHCSA-N
MW165.28 g/mol
LogP3.24
Rot. Bonds5

About 4-ethenyl-N,2-dimethylhept-4-en-1-imine

4-ethenyl-N,2-dimethylhept-4-en-1-imine (PubChem CID 91556772) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-ethenyl-N,2-dimethylhept-4-en-1-imine.

Molecular Properties

Compound Name4-ethenyl-N,2-dimethylhept-4-en-1-imine
PubChem CID91556772
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-ethenyl-N,2-dimethylhept-4-en-1-imine
SMILESC=CC(=CCC)CC(C)/C=N/C
InChIInChI=1S/C11H19N/c1-5-7-11(6-2)8-10(3)9-12-4/h6-7,9-10H,2,5,8H2,1,3-4H3/b11-7?,12-9+
InChIKeyMIQIBVFAWDLDLQ-QLYYFUHCSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethenyl-N,2-dimethylhept-4-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 4-ethenyl-N,2-dimethylhept-4-en-1-imine?
The IUPAC name of 4-ethenyl-N,2-dimethylhept-4-en-1-imine (CID 91556772) is 4-ethenyl-N,2-dimethylhept-4-en-1-imine.
What is the SMILES notation for 4-ethenyl-N,2-dimethylhept-4-en-1-imine?
The canonical SMILES for 4-ethenyl-N,2-dimethylhept-4-en-1-imine is C=CC(=CCC)CC(C)/C=N/C.
What is the InChIKey of 4-ethenyl-N,2-dimethylhept-4-en-1-imine?
The InChIKey is MIQIBVFAWDLDLQ-QLYYFUHCSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-11(6-2)8-10(3)9-12-4/h6-7,9-10H,2,5,8H2,1,3-4H3/b11-7?,12-9+.
What are the key properties of 4-ethenyl-N,2-dimethylhept-4-en-1-imine?
4-ethenyl-N,2-dimethylhept-4-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,2-dimethylhept-4-en-1-imine is sourced from PubChem (CID 91556772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).