5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium

C11H20N+ — CID 123155771

IUPAC5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium
SMILESCC(C)=C(C)CC=CC=[N+](C)C
InChIInChI=1S/C11H20N/c1-10(2)11(3)8-6-7-9-12(4)5/h6-7,9H,8H2,1-5H3/q+1
InChIKeyQVMUMSNYVJANHE-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.63
Rot. Bonds3

About 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium

5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium (PubChem CID 123155771) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium.

Molecular Properties

Compound Name5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium
PubChem CID123155771
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium
SMILESCC(C)=C(C)CC=CC=[N+](C)C
InChIInChI=1S/C11H20N/c1-10(2)11(3)8-6-7-9-12(4)5/h6-7,9H,8H2,1-5H3/q+1
InChIKeyQVMUMSNYVJANHE-UHFFFAOYSA-N
XLogP2.63
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
N-propylhex-2-en-1-imine
CID 57162826
N-propylpent-2-en-1-imine
CID 57277336
tert-butyl-[(Z)-4,4-dimethylpent-2-enylidene]-methylazanium
CID 58765978
3-Pent-1-enyl-2,3-dihydropyridine
CID 60055383
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
(2E,4E)-N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 60138488
(1E)-2-Ethyl-N-(2-methylpropyl)hex-2-en-1-imine
CID 71343072
N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 72660173

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium?
The IUPAC name of 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium (CID 123155771) is 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium.
What is the SMILES notation for 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium?
The canonical SMILES for 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium is CC(C)=C(C)CC=CC=[N+](C)C.
What is the InChIKey of 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium?
The InChIKey is QVMUMSNYVJANHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-10(2)11(3)8-6-7-9-12(4)5/h6-7,9H,8H2,1-5H3/q+1.
What are the key properties of 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium?
5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium has a molecular weight of 166.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylhepta-2,5-dienylidene(dimethyl)azanium is sourced from PubChem (CID 123155771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).