4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium

C10H18N+ — CID 123767520

IUPAC4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium
SMILESC=C(C)C(C)=CCC=[N+](C)C
InChIInChI=1S/C10H18N/c1-9(2)10(3)7-6-8-11(4)5/h7-8H,1,6H2,2-5H3/q+1
InChIKeyULMJWYLIZIDVSK-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.24
Rot. Bonds3

About 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium

4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium (PubChem CID 123767520) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium.

Molecular Properties

Compound Name4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium
PubChem CID123767520
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium
SMILESC=C(C)C(C)=CCC=[N+](C)C
InChIInChI=1S/C10H18N/c1-9(2)10(3)7-6-8-11(4)5/h7-8H,1,6H2,2-5H3/q+1
InChIKeyULMJWYLIZIDVSK-UHFFFAOYSA-N
XLogP2.24
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.24
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

(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
8-Dimethylamino-5-methyl-3,5,7-nonatrienylidenedimethylammonium iodide
CID 129808885
5,6-dimethyl-3H-azepine
CID 54481058
(2E,4E)-N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 60138488
(2E,4E)-N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
CID 60138499
N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 72660193
N-butyl-2-methyl-6-methylideneocta-2,4,7-trien-1-imine
CID 72660204
N-[(1Z,3Z)-2,3-dimethylpenta-1,3-dienyl]ethanimine
CID 88286406
N-butyl-6-ethenylocta-5,7-dien-1-imine
CID 88589591
(2Z,4E)-N,4-dimethylhexa-2,4-dien-1-imine
CID 89258853
(2Z,4E,6E)-N,8-dimethylnona-2,4,6,8-tetraen-1-imine
CID 89324895
(2Z,4E,6E,8Z)-N,N',4,7-tetramethyldeca-2,4,6,8-tetraene-1,10-diimine
CID 89369382

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium?
The IUPAC name of 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium (CID 123767520) is 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium.
What is the SMILES notation for 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium?
The canonical SMILES for 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium is C=C(C)C(C)=CCC=[N+](C)C.
What is the InChIKey of 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium?
The InChIKey is ULMJWYLIZIDVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-9(2)10(3)7-6-8-11(4)5/h7-8H,1,6H2,2-5H3/q+1.
What are the key properties of 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium?
4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium has a molecular weight of 152.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhexa-3,5-dienylidene(dimethyl)azanium is sourced from PubChem (CID 123767520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).