dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium

C9H16N+ — CID 123949741

IUPACdimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium
SMILESC=CC(C)=CC(C)=[N+](C)C
InChIInChI=1S/C9H16N/c1-6-8(2)7-9(3)10(4)5/h6-7H,1H2,2-5H3/q+1
InChIKeyYVTZDSYVUBJSGA-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.85
Rot. Bonds2

About dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium

dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium (PubChem CID 123949741) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium.

Molecular Properties

Compound Namedimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium
PubChem CID123949741
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Namedimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium
SMILESC=CC(C)=CC(C)=[N+](C)C
InChIInChI=1S/C9H16N/c1-6-8(2)7-9(3)10(4)5/h6-7H,1H2,2-5H3/q+1
InChIKeyYVTZDSYVUBJSGA-UHFFFAOYSA-N
XLogP1.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.85
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
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine
CID 166976514
(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
(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine
CID 178135533
(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-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

Frequently Asked Questions

What is the IUPAC name of dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium?
The IUPAC name of dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium (CID 123949741) is dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium.
What is the SMILES notation for dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium?
The canonical SMILES for dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium is C=CC(C)=CC(C)=[N+](C)C.
What is the InChIKey of dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium?
The InChIKey is YVTZDSYVUBJSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-6-8(2)7-9(3)10(4)5/h6-7H,1H2,2-5H3/q+1.
What are the key properties of dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium?
dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium has a molecular weight of 138.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(4-methylhexa-3,5-dien-2-ylidene)azanium is sourced from PubChem (CID 123949741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).