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

C11H16N+ — CID 20672937

IUPAC(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
SMILESC=C1C(C)=CC(=[N+](C)C)C=C1C
InChIInChI=1S/C11H16N/c1-8-6-11(12(4)5)7-9(2)10(8)3/h6-7H,3H2,1-2,4-5H3/q+1
InChIKeyIETYMDTUELHOEN-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.16
Rot. Bonds

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

(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium (PubChem CID 20672937) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
PubChem CID20672937
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Name(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
SMILESC=C1C(C)=CC(=[N+](C)C)C=C1C
InChIInChI=1S/C11H16N/c1-8-6-11(12(4)5)7-9(2)10(8)3/h6-7H,3H2,1-2,4-5H3/q+1
InChIKeyIETYMDTUELHOEN-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

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
dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
CID 154707776
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709
N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 58220554

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
The IUPAC name of (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium (CID 20672937) is (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium.
What is the SMILES notation for (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
The canonical SMILES for (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium is C=C1C(C)=CC(=[N+](C)C)C=C1C.
What is the InChIKey of (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
The InChIKey is IETYMDTUELHOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-8-6-11(12(4)5)7-9(2)10(8)3/h6-7H,3H2,1-2,4-5H3/q+1.
What are the key properties of (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium?
(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium 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 (3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium is sourced from PubChem (CID 20672937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).