trimethyl(phenyliminomethyl)azanium iodide

C10H15IN2 — CID 16531

IUPACtrimethyl(phenyliminomethyl)azanium iodide
SMILESC[N+](C)(C)/C=N/c1ccccc1.[I-]
InChIInChI=1S/C10H15N2.HI/c1-12(2,3)9-11-10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/q+1;/p-1/b11-9+;
InChIKeyASVOLESSMLRDDR-LBEJWNQZSA-M
MW290.15 g/mol
LogP-0.94
Rot. Bonds2

About trimethyl(phenyliminomethyl)azanium iodide

trimethyl(phenyliminomethyl)azanium iodide (PubChem CID 16531) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is trimethyl(phenyliminomethyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(phenyliminomethyl)azanium iodide
PubChem CID16531
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Nametrimethyl(phenyliminomethyl)azanium iodide
SMILESC[N+](C)(C)/C=N/c1ccccc1.[I-]
InChIInChI=1S/C10H15N2.HI/c1-12(2,3)9-11-10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/q+1;/p-1/b11-9+;
InChIKeyASVOLESSMLRDDR-LBEJWNQZSA-M
XLogP-0.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'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(phenyliminomethyl)azanium iodide?
The IUPAC name of trimethyl(phenyliminomethyl)azanium iodide (CID 16531) is trimethyl(phenyliminomethyl)azanium iodide.
What is the SMILES notation for trimethyl(phenyliminomethyl)azanium iodide?
The canonical SMILES for trimethyl(phenyliminomethyl)azanium iodide is C[N+](C)(C)/C=N/c1ccccc1.[I-].
What is the InChIKey of trimethyl(phenyliminomethyl)azanium iodide?
The InChIKey is ASVOLESSMLRDDR-LBEJWNQZSA-M. The full InChI is InChI=1S/C10H15N2.HI/c1-12(2,3)9-11-10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/q+1;/p-1/b11-9+;.
What are the key properties of trimethyl(phenyliminomethyl)azanium iodide?
trimethyl(phenyliminomethyl)azanium iodide has a molecular weight of 290.15 g/mol, XLogP of -0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(phenyliminomethyl)azanium iodide is sourced from PubChem (CID 16531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).