9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium

C13H21N2+ — CID 57280647

IUPAC9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium
SMILESCN(C)C=CC=CC=CC=CC=[N+](C)C
InChIInChI=1S/C13H21N2/c1-14(2)12-10-8-6-5-7-9-11-13-15(3)4/h5-13H,1-4H3/q+1
InChIKeyPCCYPCWNXSZULW-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.07
Rot. Bonds5

About 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium

9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium (PubChem CID 57280647) has the molecular formula C13H21N2+ and a molecular weight of 205.33 g/mol. Its IUPAC name is 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium.

Molecular Properties

Compound Name9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium
PubChem CID57280647
Molecular FormulaC13H21N2+
Molecular Weight205.33 g/mol
Exact Mass205.17
IUPAC Name9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium
SMILESCN(C)C=CC=CC=CC=CC=[N+](C)C
InChIInChI=1S/C13H21N2/c1-14(2)12-10-8-6-5-7-9-11-13-15(3)4/h5-13H,1-4H3/q+1
InChIKeyPCCYPCWNXSZULW-UHFFFAOYSA-N
XLogP2.07
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.07
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 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium?
The IUPAC name of 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium (CID 57280647) is 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium.
What is the SMILES notation for 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium?
The canonical SMILES for 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium is CN(C)C=CC=CC=CC=CC=[N+](C)C.
What is the InChIKey of 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium?
The InChIKey is PCCYPCWNXSZULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2/c1-14(2)12-10-8-6-5-7-9-11-13-15(3)4/h5-13H,1-4H3/q+1.
What are the key properties of 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium?
9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium has a molecular weight of 205.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylamino)nona-2,4,6,8-tetraenylidene-dimethylazanium is sourced from PubChem (CID 57280647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).