nona-2,4,6,8-tetraenylideneazanium

C9H12N+ — CID 91117301

IUPACnona-2,4,6,8-tetraenylideneazanium
SMILESC=CC=CC=CC=CC=[NH2+]
InChIInChI=1S/C9H11N/c1-2-3-4-5-6-7-8-9-10/h2-10H,1H2/p+1
InChIKeyOTRVPDDFTFENMX-UHFFFAOYSA-O
MW134.20 g/mol
LogP0.67
Rot. Bonds4

About nona-2,4,6,8-tetraenylideneazanium

nona-2,4,6,8-tetraenylideneazanium (PubChem CID 91117301) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is nona-2,4,6,8-tetraenylideneazanium.

Molecular Properties

Compound Namenona-2,4,6,8-tetraenylideneazanium
PubChem CID91117301
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Namenona-2,4,6,8-tetraenylideneazanium
SMILESC=CC=CC=CC=CC=[NH2+]
InChIInChI=1S/C9H11N/c1-2-3-4-5-6-7-8-9-10/h2-10H,1H2/p+1
InChIKeyOTRVPDDFTFENMX-UHFFFAOYSA-O
XLogP0.67
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
(1E,3E)-hexa-1,3,5-trien-1-amine
CID 19883152
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
(1E,3Z)-1-iodohexa-1,3,5-triene
CID 87688168
(1Z,3Z)-hexa-1,3,5-triene-1-thiol
CID 126746240
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
CID 102095281
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201
(3E,5E,7E)-nona-1,3,5,7-tetraene
CID 15570287

Frequently Asked Questions

What is the IUPAC name of nona-2,4,6,8-tetraenylideneazanium?
The IUPAC name of nona-2,4,6,8-tetraenylideneazanium (CID 91117301) is nona-2,4,6,8-tetraenylideneazanium.
What is the SMILES notation for nona-2,4,6,8-tetraenylideneazanium?
The canonical SMILES for nona-2,4,6,8-tetraenylideneazanium is C=CC=CC=CC=CC=[NH2+].
What is the InChIKey of nona-2,4,6,8-tetraenylideneazanium?
The InChIKey is OTRVPDDFTFENMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N/c1-2-3-4-5-6-7-8-9-10/h2-10H,1H2/p+1.
What are the key properties of nona-2,4,6,8-tetraenylideneazanium?
nona-2,4,6,8-tetraenylideneazanium has a molecular weight of 134.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4,6,8-tetraenylideneazanium is sourced from PubChem (CID 91117301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).