benzyl(trimethyl)azanium iodide

C10H16IN — CID 20619

IUPACbenzyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)Cc1ccccc1.[I-]
InChIInChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyLRRJQNMXIDXNIM-UHFFFAOYSA-M
MW277.15 g/mol
LogP-1.10
Rot. Bonds2

About benzyl(trimethyl)azanium iodide

benzyl(trimethyl)azanium iodide (PubChem CID 20619) has the molecular formula C10H16IN and a molecular weight of 277.15 g/mol. Its IUPAC name is benzyl(trimethyl)azanium iodide.

Molecular Properties

Compound Namebenzyl(trimethyl)azanium iodide
PubChem CID20619
Molecular FormulaC10H16IN
Molecular Weight277.15 g/mol
Exact Mass277.03
IUPAC Namebenzyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)Cc1ccccc1.[I-]
InChIInChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyLRRJQNMXIDXNIM-UHFFFAOYSA-M
XLogP-1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 5-1.10
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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Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)azanium iodide?
The IUPAC name of benzyl(trimethyl)azanium iodide (CID 20619) is benzyl(trimethyl)azanium iodide.
What is the SMILES notation for benzyl(trimethyl)azanium iodide?
The canonical SMILES for benzyl(trimethyl)azanium iodide is C[N+](C)(C)Cc1ccccc1.[I-].
What is the InChIKey of benzyl(trimethyl)azanium iodide?
The InChIKey is LRRJQNMXIDXNIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl(trimethyl)azanium iodide?
benzyl(trimethyl)azanium iodide has a molecular weight of 277.15 g/mol, XLogP of -1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)azanium iodide is sourced from PubChem (CID 20619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).