(5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium

C13H22N+ — CID 91078747

IUPAC(5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium
SMILESCC=CC(C(=CC)C(C)=CC)=[N+](C)C
InChIInChI=1S/C13H22N/c1-7-10-13(14(5)6)12(9-3)11(4)8-2/h7-10H,1-6H3/q+1
InChIKeyAQGYCIRUOJEJEC-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.19
Rot. Bonds3

About (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium

(5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium (PubChem CID 91078747) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium
PubChem CID91078747
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name(5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium
SMILESCC=CC(C(=CC)C(C)=CC)=[N+](C)C
InChIInChI=1S/C13H22N/c1-7-10-13(14(5)6)12(9-3)11(4)8-2/h7-10H,1-6H3/q+1
InChIKeyAQGYCIRUOJEJEC-UHFFFAOYSA-N
XLogP3.19
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.19
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'}

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
CID 153384496
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
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
(3E,5E,8E)-5-[(E)-but-2-en-2-yl]-3-(1,1-difluoroethyl)-N,8-dimethylundeca-3,5,8,10-tetraen-2-imine
CID 144037457
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905

Frequently Asked Questions

What is the IUPAC name of (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium?
The IUPAC name of (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium (CID 91078747) is (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium.
What is the SMILES notation for (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium?
The canonical SMILES for (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium is CC=CC(C(=CC)C(C)=CC)=[N+](C)C.
What is the InChIKey of (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium?
The InChIKey is AQGYCIRUOJEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N/c1-7-10-13(14(5)6)12(9-3)11(4)8-2/h7-10H,1-6H3/q+1.
What are the key properties of (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium?
(5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium has a molecular weight of 192.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylidene-6-methylocta-2,6-dien-4-ylidene)-dimethylazanium is sourced from PubChem (CID 91078747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).