(2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine

C12H15N — CID 142304417

IUPAC(2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C/C=N/C1C=CC=CC1
InChIInChI=1S/C12H15N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h2-9,11-12H,10H2,1H3/b3-2-,8-4-,13-11+
InChIKeyCENYANCLRAVPRD-NKYRSUHTSA-N
MW173.26 g/mol
LogP3.07
Rot. Bonds3

About (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine

(2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine (PubChem CID 142304417) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine
PubChem CID142304417
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine
SMILESC/C=C\C=C/C=N/C1C=CC=CC1
InChIInChI=1S/C12H15N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h2-9,11-12H,10H2,1H3/b3-2-,8-4-,13-11+
InChIKeyCENYANCLRAVPRD-NKYRSUHTSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.07
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 (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-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

Related Compounds

(2S)-2,7-dimethyl-2H-azepine
CID 21672374
(2R)-2,7-dimethyl-2H-azepine
CID 134989460
7aH-indole
CID 20614426
2-Methyl-2,3-dihydropyridine
CID 21652564
2-Propyl-2,3-dihydropyridine
CID 68521817
Diethylideneaniline
CID 70417807
Bis-propylideneaniline
CID 129791915
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
CID 142913457
N-[(3E,5E)-3-ethenyl-6-fluorohexa-3,5-dien-2-yl]prop-2-en-1-imine
CID 144407789
7aH-cyclopenta[b]pyridine
CID 16685899
4a,8a-Dihydroquinoxaline
CID 21025825

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine (CID 142304417) is (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine is C/C=C\C=C/C=N/C1C=CC=CC1.
What is the InChIKey of (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine?
The InChIKey is CENYANCLRAVPRD-NKYRSUHTSA-N. The full InChI is InChI=1S/C12H15N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h2-9,11-12H,10H2,1H3/b3-2-,8-4-,13-11+.
What are the key properties of (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine?
(2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-cyclohexa-2,4-dien-1-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 142304417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).