[4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium

C13H21N2+ — CID 59962901

IUPAC[4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
SMILESCNC=CC=CC(C)=C(C)C=C/C=[NH+]/C
InChIInChI=1S/C13H20N2/c1-12(8-5-6-10-14-3)13(2)9-7-11-15-4/h5-11,14H,1-4H3/p+1/b8-5?,9-7?,10-6?,13-12?,15-11+
InChIKeyAOWZQCBHVUIFGG-XZNGGMCTSA-O
MW205.32 g/mol
LogP0.95
Rot. Bonds5

About [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium

[4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium (PubChem CID 59962901) has the molecular formula C13H21N2+ and a molecular weight of 205.32 g/mol. Its IUPAC name is [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium.

Molecular Properties

Compound Name[4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
PubChem CID59962901
Molecular FormulaC13H21N2+
Molecular Weight205.32 g/mol
Exact Mass205.17
IUPAC Name[4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
SMILESCNC=CC=CC(C)=C(C)C=C/C=[NH+]/C
InChIInChI=1S/C13H20N2/c1-12(8-5-6-10-14-3)13(2)9-7-11-15-4/h5-11,14H,1-4H3/p+1/b8-5?,9-7?,10-6?,13-12?,15-11+
InChIKeyAOWZQCBHVUIFGG-XZNGGMCTSA-O
XLogP0.95
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium?
The IUPAC name of [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium (CID 59962901) is [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium.
What is the SMILES notation for [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium?
The canonical SMILES for [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium is CNC=CC=CC(C)=C(C)C=C/C=[NH+]/C.
What is the InChIKey of [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium?
The InChIKey is AOWZQCBHVUIFGG-XZNGGMCTSA-O. The full InChI is InChI=1S/C13H20N2/c1-12(8-5-6-10-14-3)13(2)9-7-11-15-4/h5-11,14H,1-4H3/p+1/b8-5?,9-7?,10-6?,13-12?,15-11+.
What are the key properties of [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium?
[4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium has a molecular weight of 205.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium is sourced from PubChem (CID 59962901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).