[(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide

C24H32IN — CID 10479415

IUPAC[(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide
SMILESCC(C/C=C/C#CC(C)(C)[N+](C)(C)C)Cc1cccc2ccccc12.[I-]
InChIInChI=1S/C24H32N.HI/c1-20(13-8-7-11-18-24(2,3)25(4,5)6)19-22-16-12-15-21-14-9-10-17-23(21)22;/h7-10,12,14-17,20H,13,19H2,1-6H3;1H/q+1;/p-1/b8-7+;
InChIKeyXVIRBJQTBQIYEF-USRGLUTNSA-M
MW461.43 g/mol
LogP2.46
Rot. Bonds5

About [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide

[(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide (PubChem CID 10479415) has the molecular formula C24H32IN and a molecular weight of 461.43 g/mol. Its IUPAC name is [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide.

Molecular Properties

Compound Name[(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide
PubChem CID10479415
Molecular FormulaC24H32IN
Molecular Weight461.43 g/mol
Exact Mass461.16
IUPAC Name[(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide
SMILESCC(C/C=C/C#CC(C)(C)[N+](C)(C)C)Cc1cccc2ccccc12.[I-]
InChIInChI=1S/C24H32N.HI/c1-20(13-8-7-11-18-24(2,3)25(4,5)6)19-22-16-12-15-21-14-9-10-17-23(21)22;/h7-10,12,14-17,20H,13,19H2,1-6H3;1H/q+1;/p-1/b8-7+;
InChIKeyXVIRBJQTBQIYEF-USRGLUTNSA-M
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide?
The IUPAC name of [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide (CID 10479415) is [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide.
What is the SMILES notation for [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide?
The canonical SMILES for [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide is CC(C/C=C/C#CC(C)(C)[N+](C)(C)C)Cc1cccc2ccccc12.[I-].
What is the InChIKey of [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide?
The InChIKey is XVIRBJQTBQIYEF-USRGLUTNSA-M. The full InChI is InChI=1S/C24H32N.HI/c1-20(13-8-7-11-18-24(2,3)25(4,5)6)19-22-16-12-15-21-14-9-10-17-23(21)22;/h7-10,12,14-17,20H,13,19H2,1-6H3;1H/q+1;/p-1/b8-7+;.
What are the key properties of [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide?
[(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide has a molecular weight of 461.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,8-dimethyl-9-naphthalen-1-ylnon-5-en-3-yn-2-yl]-trimethylazanium iodide is sourced from PubChem (CID 10479415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).