dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride

C13H16ClN — CID 159522972

IUPACdimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride
SMILESC=CC=CC=C1C=CC(=[N+](C)C)C=C1.[Cl-]
InChIInChI=1S/C13H16N.ClH/c1-4-5-6-7-12-8-10-13(11-9-12)14(2)3;/h4-11H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyMCAPROXRQKAKJZ-UHFFFAOYSA-M
MW221.73 g/mol
LogP-0.50
Rot. Bonds2

About dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride

dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride (PubChem CID 159522972) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride.

Molecular Properties

Compound Namedimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride
PubChem CID159522972
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Namedimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride
SMILESC=CC=CC=C1C=CC(=[N+](C)C)C=C1.[Cl-]
InChIInChI=1S/C13H16N.ClH/c1-4-5-6-7-12-8-10-13(11-9-12)14(2)3;/h4-11H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyMCAPROXRQKAKJZ-UHFFFAOYSA-M
XLogP-0.50
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride 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

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135027828
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135042691
(4-Cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate
CID 10979801
Cyclohepta-2,4,6-trien-1-ylidene(dimethyl)azanium
CID 12485874
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
Cyclohexa-2,5-dien-1-ylidene(dimethyl)azanium
CID 23064131
N-methyl-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
CID 53800904

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride?
The IUPAC name of dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride (CID 159522972) is dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride.
What is the SMILES notation for dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride?
The canonical SMILES for dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride is C=CC=CC=C1C=CC(=[N+](C)C)C=C1.[Cl-].
What is the InChIKey of dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride?
The InChIKey is MCAPROXRQKAKJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N.ClH/c1-4-5-6-7-12-8-10-13(11-9-12)14(2)3;/h4-11H,1H2,2-3H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride?
dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride has a molecular weight of 221.73 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride is sourced from PubChem (CID 159522972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).