diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide

C14H21IN2 — CID 75212952

IUPACdiethyl-(1H-indol-2-ylmethyl)-methylazanium iodide
SMILESCC[N+](C)(CC)Cc1cc2ccccc2[nH]1.[I-]
InChIInChI=1S/C14H21N2.HI/c1-4-16(3,5-2)11-13-10-12-8-6-7-9-14(12)15-13;/h6-10,15H,4-5,11H2,1-3H3;1H/q+1;/p-1
InChIKeyPMUUOTFJORSRNQ-UHFFFAOYSA-M
MW344.24 g/mol
LogP0.16
Rot. Bonds4

About diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide

diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide (PubChem CID 75212952) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide.

Molecular Properties

Compound Namediethyl-(1H-indol-2-ylmethyl)-methylazanium iodide
PubChem CID75212952
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Namediethyl-(1H-indol-2-ylmethyl)-methylazanium iodide
SMILESCC[N+](C)(CC)Cc1cc2ccccc2[nH]1.[I-]
InChIInChI=1S/C14H21N2.HI/c1-4-16(3,5-2)11-13-10-12-8-6-7-9-14(12)15-13;/h6-10,15H,4-5,11H2,1-3H3;1H/q+1;/p-1
InChIKeyPMUUOTFJORSRNQ-UHFFFAOYSA-M
XLogP0.16
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
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 diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide?
The IUPAC name of diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide (CID 75212952) is diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide.
What is the SMILES notation for diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide?
The canonical SMILES for diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide is CC[N+](C)(CC)Cc1cc2ccccc2[nH]1.[I-].
What is the InChIKey of diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide?
The InChIKey is PMUUOTFJORSRNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21N2.HI/c1-4-16(3,5-2)11-13-10-12-8-6-7-9-14(12)15-13;/h6-10,15H,4-5,11H2,1-3H3;1H/q+1;/p-1.
What are the key properties of diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide?
diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide has a molecular weight of 344.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(1H-indol-2-ylmethyl)-methylazanium iodide is sourced from PubChem (CID 75212952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).