methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium

C11H17N2+ — CID 54465329

IUPACmethyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
SMILESCNC=CC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C11H16N2/c1-12-10-8-6-4-3-5-7-9-11-13-2/h3-12H,1-2H3/p+1/b5-3?,6-4?,9-7?,10-8?,13-11+
InChIKeyXEKWGWKHIZMQBT-OMNWTVCWSA-O
MW177.27 g/mol
LogP0.17
Rot. Bonds5

About methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium

methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium (PubChem CID 54465329) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium.

Molecular Properties

Compound Namemethyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
PubChem CID54465329
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Namemethyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
SMILESCNC=CC=CC=CC=C/C=[NH+]/C
InChIInChI=1S/C11H16N2/c1-12-10-8-6-4-3-5-7-9-11-13-2/h3-12H,1-2H3/p+1/b5-3?,6-4?,9-7?,10-8?,13-11+
InChIKeyXEKWGWKHIZMQBT-OMNWTVCWSA-O
XLogP0.17
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.17
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-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The IUPAC name of methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium (CID 54465329) is methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium.
What is the SMILES notation for methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The canonical SMILES for methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium is CNC=CC=CC=CC=C/C=[NH+]/C.
What is the InChIKey of methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
The InChIKey is XEKWGWKHIZMQBT-OMNWTVCWSA-O. The full InChI is InChI=1S/C11H16N2/c1-12-10-8-6-4-3-5-7-9-11-13-2/h3-12H,1-2H3/p+1/b5-3?,6-4?,9-7?,10-8?,13-11+.
What are the key properties of methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium?
methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium has a molecular weight of 177.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium is sourced from PubChem (CID 54465329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).