(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine

C11H17N — CID 89121716

IUPAC(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(C)=N/C(C)=C\C
InChIInChI=1S/C11H17N/c1-5-7-8-9-11(4)12-10(3)6-2/h5-9H,1-4H3/b7-5-,9-8-,10-6-,12-11+
InChIKeyTTWJJVNBDFOQPV-OJXYNPHISA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds3

About (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine

(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine (PubChem CID 89121716) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine
PubChem CID89121716
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(C)=N/C(C)=C\C
InChIInChI=1S/C11H17N/c1-5-7-8-9-11(4)12-10(3)6-2/h5-9H,1-4H3/b7-5-,9-8-,10-6-,12-11+
InChIKeyTTWJJVNBDFOQPV-OJXYNPHISA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.50
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 (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-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 (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine (CID 89121716) is (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine is C/C=C\C=C/C(C)=N/C(C)=C\C.
What is the InChIKey of (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine?
The InChIKey is TTWJJVNBDFOQPV-OJXYNPHISA-N. The full InChI is InChI=1S/C11H17N/c1-5-7-8-9-11(4)12-10(3)6-2/h5-9H,1-4H3/b7-5-,9-8-,10-6-,12-11+.
What are the key properties of (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine?
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine has a molecular weight of 163.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 89121716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).