1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine

C16H21N — CID 145073341

IUPAC1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine
SMILESC=C(/N=C/C1=CC=CCC1)C1=CCC(C)CC1
InChIInChI=1S/C16H21N/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-4,6,10,12-13H,2,5,7-9,11H2,1H3/b17-12+
InChIKeyPSLWSFGVEYWQOI-SFQUDFHCSA-N
MW227.35 g/mol
LogP4.59
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine

1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine (PubChem CID 145073341) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine
PubChem CID145073341
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine
SMILESC=C(/N=C/C1=CC=CCC1)C1=CCC(C)CC1
InChIInChI=1S/C16H21N/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-4,6,10,12-13H,2,5,7-9,11H2,1H3/b17-12+
InChIKeyPSLWSFGVEYWQOI-SFQUDFHCSA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine 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 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine (CID 145073341) is 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine is C=C(/N=C/C1=CC=CCC1)C1=CCC(C)CC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine?
The InChIKey is PSLWSFGVEYWQOI-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H21N/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-4,6,10,12-13H,2,5,7-9,11H2,1H3/b17-12+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine?
1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine has a molecular weight of 227.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine is sourced from PubChem (CID 145073341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).