[9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium

C18H30N3+ — CID 72519405

IUPAC[9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
SMILESCC(=CC(C=CC=CN(C)C)=CC=CC=[N+](C)C)N(C)C
InChIInChI=1S/C18H30N3/c1-17(21(6)7)16-18(12-8-10-14-19(2)3)13-9-11-15-20(4)5/h8-16H,1-7H3/q+1
InChIKeyZUNPXKHHYAXQSX-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.91
Rot. Bonds7

About [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium

[9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium (PubChem CID 72519405) has the molecular formula C18H30N3+ and a molecular weight of 288.46 g/mol. Its IUPAC name is [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium.

Molecular Properties

Compound Name[9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
PubChem CID72519405
Molecular FormulaC18H30N3+
Molecular Weight288.46 g/mol
Exact Mass288.24
IUPAC Name[9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
SMILESCC(=CC(C=CC=CN(C)C)=CC=CC=[N+](C)C)N(C)C
InChIInChI=1S/C18H30N3/c1-17(21(6)7)16-18(12-8-10-14-19(2)3)13-9-11-15-20(4)5/h8-16H,1-7H3/q+1
InChIKeyZUNPXKHHYAXQSX-UHFFFAOYSA-N
XLogP2.91
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium?
The IUPAC name of [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium (CID 72519405) is [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium.
What is the SMILES notation for [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium?
The canonical SMILES for [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium is CC(=CC(C=CC=CN(C)C)=CC=CC=[N+](C)C)N(C)C.
What is the InChIKey of [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium?
The InChIKey is ZUNPXKHHYAXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N3/c1-17(21(6)7)16-18(12-8-10-14-19(2)3)13-9-11-15-20(4)5/h8-16H,1-7H3/q+1.
What are the key properties of [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium?
[9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium has a molecular weight of 288.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium is sourced from PubChem (CID 72519405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).