trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide

C15H22IN3S — CID 5351669

IUPACtrimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide
SMILESC[N+](C)(C)CCN(Cc1cccs1)c1ccccn1.[I-]
InChIInChI=1S/C15H22N3S.HI/c1-18(2,3)11-10-17(13-14-7-6-12-19-14)15-8-4-5-9-16-15;/h4-9,12H,10-11,13H2,1-3H3;1H/q+1;/p-1
InChIKeyUXIONEDRDIBJNE-UHFFFAOYSA-M
MW403.33 g/mol
LogP-0.14
Rot. Bonds6

About trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide

trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide (PubChem CID 5351669) has the molecular formula C15H22IN3S and a molecular weight of 403.33 g/mol. Its IUPAC name is trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide
PubChem CID5351669
Molecular FormulaC15H22IN3S
Molecular Weight403.33 g/mol
Exact Mass403.06
IUPAC Nametrimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide
SMILESC[N+](C)(C)CCN(Cc1cccs1)c1ccccn1.[I-]
InChIInChI=1S/C15H22N3S.HI/c1-18(2,3)11-10-17(13-14-7-6-12-19-14)15-8-4-5-9-16-15;/h4-9,12H,10-11,13H2,1-3H3;1H/q+1;/p-1
InChIKeyUXIONEDRDIBJNE-UHFFFAOYSA-M
XLogP-0.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide?
The IUPAC name of trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide (CID 5351669) is trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide.
What is the SMILES notation for trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide?
The canonical SMILES for trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide is C[N+](C)(C)CCN(Cc1cccs1)c1ccccn1.[I-].
What is the InChIKey of trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide?
The InChIKey is UXIONEDRDIBJNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22N3S.HI/c1-18(2,3)11-10-17(13-14-7-6-12-19-14)15-8-4-5-9-16-15;/h4-9,12H,10-11,13H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide?
trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide has a molecular weight of 403.33 g/mol, XLogP of -0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide is sourced from PubChem (CID 5351669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).