(4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine

C17H21N — CID 129215230

IUPAC(4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine
SMILESC=CC(=NC1=CCC(C)=CC=C1C)/C(C=C)=C/C
InChIInChI=1S/C17H21N/c1-6-15(7-2)16(8-3)18-17-12-10-13(4)9-11-14(17)5/h6-9,11-12H,1,3,10H2,2,4-5H3/b15-7+,18-16+
InChIKeyHMRLVTCGTCTGKK-VKZGXTEYSA-N
MW239.36 g/mol
LogP4.93
Rot. Bonds4

About (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine

(4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine (PubChem CID 129215230) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine
PubChem CID129215230
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine
SMILESC=CC(=NC1=CCC(C)=CC=C1C)/C(C=C)=C/C
InChIInChI=1S/C17H21N/c1-6-15(7-2)16(8-3)18-17-12-10-13(4)9-11-14(17)5/h6-9,11-12H,1,3,10H2,2,4-5H3/b15-7+,18-16+
InChIKeyHMRLVTCGTCTGKK-VKZGXTEYSA-N
XLogP4.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.93
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 (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-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 (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine?
The IUPAC name of (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine (CID 129215230) is (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine.
What is the SMILES notation for (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine?
The canonical SMILES for (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine is C=CC(=NC1=CCC(C)=CC=C1C)/C(C=C)=C/C.
What is the InChIKey of (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine?
The InChIKey is HMRLVTCGTCTGKK-VKZGXTEYSA-N. The full InChI is InChI=1S/C17H21N/c1-6-15(7-2)16(8-3)18-17-12-10-13(4)9-11-14(17)5/h6-9,11-12H,1,3,10H2,2,4-5H3/b15-7+,18-16+.
What are the key properties of (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine?
(4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine has a molecular weight of 239.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-(4,7-dimethylcyclohepta-1,4,6-trien-1-yl)-4-ethenylhexa-1,4-dien-3-imine is sourced from PubChem (CID 129215230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).