dimethyl-(113C)methyl-phenylazanium iodide

C9H14IN — CID 11334548

IUPACdimethyl-(113C)methyl-phenylazanium iodide
SMILESC[N+](C)([13CH3])c1ccccc1.[I-]
InChIInChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1/i1+1;
InChIKeyKKLAORVGAKUOPZ-YTBWXGASSA-M
MW264.11 g/mol
LogP-1.11
Rot. Bonds1

About dimethyl-(113C)methyl-phenylazanium iodide

dimethyl-(113C)methyl-phenylazanium iodide (PubChem CID 11334548) has the molecular formula C9H14IN and a molecular weight of 264.11 g/mol. Its IUPAC name is dimethyl-(113C)methyl-phenylazanium iodide.

Molecular Properties

Compound Namedimethyl-(113C)methyl-phenylazanium iodide
PubChem CID11334548
Molecular FormulaC9H14IN
Molecular Weight264.11 g/mol
Exact Mass264.02
IUPAC Namedimethyl-(113C)methyl-phenylazanium iodide
SMILESC[N+](C)([13CH3])c1ccccc1.[I-]
InChIInChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1/i1+1;
InChIKeyKKLAORVGAKUOPZ-YTBWXGASSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 5-1.11
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(113C)methyl-phenylazanium iodide?
The IUPAC name of dimethyl-(113C)methyl-phenylazanium iodide (CID 11334548) is dimethyl-(113C)methyl-phenylazanium iodide.
What is the SMILES notation for dimethyl-(113C)methyl-phenylazanium iodide?
The canonical SMILES for dimethyl-(113C)methyl-phenylazanium iodide is C[N+](C)([13CH3])c1ccccc1.[I-].
What is the InChIKey of dimethyl-(113C)methyl-phenylazanium iodide?
The InChIKey is KKLAORVGAKUOPZ-YTBWXGASSA-M. The full InChI is InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1/i1+1;.
What are the key properties of dimethyl-(113C)methyl-phenylazanium iodide?
dimethyl-(113C)methyl-phenylazanium iodide has a molecular weight of 264.11 g/mol, XLogP of -1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(113C)methyl-phenylazanium iodide is sourced from PubChem (CID 11334548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).