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

C13H21N2+ — CID 12908324

IUPAC[(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium
SMILESCN(C)/C=C/C=C/C=C/C=C/C=[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 [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium

[(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium (PubChem CID 12908324) has the molecular formula C13H21N2+ and a molecular weight of 205.33 g/mol. Its IUPAC name is [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium.

Molecular Properties

Compound Name[(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium
PubChem CID12908324
Molecular FormulaC13H21N2+
Molecular Weight205.33 g/mol
Exact Mass205.17
IUPAC Name[(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium
SMILESCN(C)/C=C/C=C/C=C/C=C/C=[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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Related Compounds

2,4-Pentadien-1-aminium, 5-(dimethylamino)-N,N-dimethyl-, perchlorate (1:1)
CID 6433338
[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
Penta-1,3-diene, 1-ethylamino-5-ethylimino-
CID 74051061
(5-Dimethylamino-2,4-pentadi-enylidene)dimethylammonium perchlorate
CID 17266
(1E,3Z,5E,7E,9Z,11E,13E,15E,17Z)-1-Azacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12485401
(1E)-N,N-dimethyl-1-pyrrol-2-ylidenemethanamine
CID 13864872
Diethyldipyridylnickel
CID 88223468
1,10-Diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 91177215
N-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-N-methylmethanaminium
CID 638325
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
CID 13081060

Frequently Asked Questions

What is the IUPAC name of [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium?
The IUPAC name of [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium (CID 12908324) is [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium.
What is the SMILES notation for [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium?
The canonical SMILES for [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium is CN(C)/C=C/C=C/C=C/C=C/C=[N+](C)C.
What is the InChIKey of [(2E,4E,6E,8E)-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 [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium?
[(2E,4E,6E,8E)-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 [(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium is sourced from PubChem (CID 12908324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).