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

C11H16N+ — CID 101015672

IUPACdimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESCC(C)=C1C=CC(=[N+](C)C)C=C1
InChIInChI=1S/C11H16N/c1-9(2)10-5-7-11(8-6-10)12(3)4/h5-8H,1-4H3/q+1
InChIKeyGXFROYRCQIRDIJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.16
Rot. Bonds

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

dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 101015672) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID101015672
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Namedimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILESCC(C)=C1C=CC(=[N+](C)C)C=C1
InChIInChI=1S/C11H16N/c1-9(2)10-5-7-11(8-6-10)12(3)4/h5-8H,1-4H3/q+1
InChIKeyGXFROYRCQIRDIJ-UHFFFAOYSA-N
XLogP2.16
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.16
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

N,N,N',N'-tetramethyl-4-quinonediiminium dication
CID 169616
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
(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
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium (CID 101015672) is dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium is CC(C)=C1C=CC(=[N+](C)C)C=C1.
What is the InChIKey of dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is GXFROYRCQIRDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-9(2)10-5-7-11(8-6-10)12(3)4/h5-8H,1-4H3/q+1.
What are the key properties of dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 162.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 101015672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).