methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium

C13H19N2+ — CID 54285233

IUPACmethyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
SMILESCNC=CC=CC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C13H18N2/c1-14-12-10-8-6-4-3-5-7-9-11-13-15-2/h3-14H,1-2H3/p+1/b4-3?,7-5?,8-6?,11-9?,12-10?,15-13+
InChIKeyRTQAPGQYFPDAEY-RMDQCRBASA-O
MW203.31 g/mol
LogP0.73
Rot. Bonds6

About methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium

methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium (PubChem CID 54285233) has the molecular formula C13H19N2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium.

Molecular Properties

Compound Namemethyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
PubChem CID54285233
Molecular FormulaC13H19N2+
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC Namemethyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
SMILESCNC=CC=CC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C13H18N2/c1-14-12-10-8-6-4-3-5-7-9-11-13-15-2/h3-14H,1-2H3/p+1/b4-3?,7-5?,8-6?,11-9?,12-10?,15-13+
InChIKeyRTQAPGQYFPDAEY-RMDQCRBASA-O
XLogP0.73
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.73
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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Related Compounds

Penta-1,3-diene, 1-ethylamino-5-ethylimino-
CID 74051061
N-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-N-methylmethanaminium
CID 638325
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
CID 13081060
7-(Dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
CID 23278995
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
[1,4,7]Triazacycloundecin
CID 129814489
Methanaminium, N-[5-(dimethylamino)-2,4-pentadienylidene]-N-methyl-
CID 17267
(1E,3E,5E,7E)-9-iminonona-1,3,5,7-tetraen-1-amine
CID 101125008
(1E,3E,5E,7E,9E)-11-iminoundeca-1,3,5,7,9-pentaen-1-amine
CID 101185002
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
[(2E,4E,6E,8E)-9-(dimethylamino)nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 12908324

Frequently Asked Questions

What is the IUPAC name of methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The IUPAC name of methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium (CID 54285233) is methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium.
What is the SMILES notation for methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The canonical SMILES for methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium is CNC=CC=CC=CC=CC=C/C=[NH+]/C.
What is the InChIKey of methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
The InChIKey is RTQAPGQYFPDAEY-RMDQCRBASA-O. The full InChI is InChI=1S/C13H18N2/c1-14-12-10-8-6-4-3-5-7-9-11-13-15-2/h3-14H,1-2H3/p+1/b4-3?,7-5?,8-6?,11-9?,12-10?,15-13+.
What are the key properties of methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium?
methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium has a molecular weight of 203.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium is sourced from PubChem (CID 54285233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).