5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium

C9H17N2+ — CID 17267

IUPAC5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium
SMILESCN(C)C=CC=CC=[N+](C)C
InChIInChI=1S/C9H17N2/c1-10(2)8-6-5-7-9-11(3)4/h5-9H,1-4H3/q+1
InChIKeyJKZCMAGCABHBCV-UHFFFAOYSA-N
MW153.25 g/mol
LogP0.96
Rot. Bonds3

About 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium

5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium (PubChem CID 17267) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium.

Molecular Properties

Compound Name5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium
PubChem CID17267
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium
SMILESCN(C)C=CC=CC=[N+](C)C
InChIInChI=1S/C9H17N2/c1-10(2)8-6-5-7-9-11(3)4/h5-9H,1-4H3/q+1
InChIKeyJKZCMAGCABHBCV-UHFFFAOYSA-N
XLogP0.96
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 50.96
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 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium?
The IUPAC name of 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium (CID 17267) is 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium.
What is the SMILES notation for 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium?
The canonical SMILES for 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium is CN(C)C=CC=CC=[N+](C)C.
What is the InChIKey of 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium?
The InChIKey is JKZCMAGCABHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-10(2)8-6-5-7-9-11(3)4/h5-9H,1-4H3/q+1.
What are the key properties of 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium?
5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium has a molecular weight of 153.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)penta-2,4-dienylidene-dimethylazanium is sourced from PubChem (CID 17267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).