dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

C9H12N+ — CID 18457916

IUPACdimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)C=C1
InChIInChI=1S/C9H12N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1H2,2-3H3/q+1
InChIKeyMAYYPORCWYLNEC-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.38
Rot. Bonds

About dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 18457916) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID18457916
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Namedimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)C=C1
InChIInChI=1S/C9H12N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1H2,2-3H3/q+1
InChIKeyMAYYPORCWYLNEC-UHFFFAOYSA-N
XLogP1.38
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
CID 130413140
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 170019336
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
(3E)-3-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 178993527
(4-Cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate
CID 10979801
N-methylcyclohepta-2,4,6-trien-1-imine
CID 12331379
Cyclohepta-2,4,6-trien-1-ylidene(dimethyl)azanium
CID 12485874
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (CID 18457916) is dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is C=C1C=CC(=[N+](C)C)C=C1.
What is the InChIKey of dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is MAYYPORCWYLNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1H2,2-3H3/q+1.
What are the key properties of dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 134.20 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 18457916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).