7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium

C11H19N2+ — CID 23278995

IUPAC7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
SMILESCN(C)C=CC=CC=CC=[N+](C)C
InChIInChI=1S/C11H19N2/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-11H,1-4H3/q+1
InChIKeyYEFWSFBHAKUJHV-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.52
Rot. Bonds4

About 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium

7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium (PubChem CID 23278995) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium.

Molecular Properties

Compound Name7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
PubChem CID23278995
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Name7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
SMILESCN(C)C=CC=CC=CC=[N+](C)C
InChIInChI=1S/C11H19N2/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-11H,1-4H3/q+1
InChIKeyYEFWSFBHAKUJHV-UHFFFAOYSA-N
XLogP1.52
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium?
The IUPAC name of 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium (CID 23278995) is 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium.
What is the SMILES notation for 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium?
The canonical SMILES for 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium is CN(C)C=CC=CC=CC=[N+](C)C.
What is the InChIKey of 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium?
The InChIKey is YEFWSFBHAKUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2/c1-12(2)10-8-6-5-7-9-11-13(3)4/h5-11H,1-4H3/q+1.
What are the key properties of 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium?
7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium has a molecular weight of 179.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium is sourced from PubChem (CID 23278995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).