dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

C10H14N+ — CID 123872429

IUPACdimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)C=C1C
InChIInChI=1S/C10H14N/c1-8-5-6-10(11(3)4)7-9(8)2/h5-7H,1H2,2-4H3/q+1
InChIKeySOYPQHZZXBGYNQ-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.77
Rot. Bonds

About dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium

dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 123872429) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID123872429
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Namedimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)C=C1C
InChIInChI=1S/C10H14N/c1-8-5-6-10(11(3)4)7-9(8)2/h5-7H,1H2,2-4H3/q+1
InChIKeySOYPQHZZXBGYNQ-UHFFFAOYSA-N
XLogP1.77
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.77
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

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
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
dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
CID 154707776
(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,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
N-methylcyclohexa-2,4-dien-1-imine
CID 14398595

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium (CID 123872429) is dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is C=C1C=CC(=[N+](C)C)C=C1C.
What is the InChIKey of dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is SOYPQHZZXBGYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-8-5-6-10(11(3)4)7-9(8)2/h5-7H,1H2,2-4H3/q+1.
What are the key properties of dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium?
dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 148.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 123872429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).