dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide

C20H29IN2 — CID 161089434

IUPACdimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide
SMILESCC1N(C)c2ccccc2C1(C)C.C[NH+](C)c1ccccc1.[I-]
InChIInChI=1S/C12H17N.C8H11N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-9(2)8-6-4-3-5-7-8;/h5-9H,1-4H3;3-7H,1-2H3;1H
InChIKeyWTCYIJGINNMUPA-UHFFFAOYSA-N
MW424.37 g/mol
LogP0.27
Rot. Bonds1

About dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide

dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide (PubChem CID 161089434) has the molecular formula C20H29IN2 and a molecular weight of 424.37 g/mol. Its IUPAC name is dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide.

Molecular Properties

Compound Namedimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide
PubChem CID161089434
Molecular FormulaC20H29IN2
Molecular Weight424.37 g/mol
Exact Mass424.14
IUPAC Namedimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide
SMILESCC1N(C)c2ccccc2C1(C)C.C[NH+](C)c1ccccc1.[I-]
InChIInChI=1S/C12H17N.C8H11N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-9(2)8-6-4-3-5-7-8;/h5-9H,1-4H3;3-7H,1-2H3;1H
InChIKeyWTCYIJGINNMUPA-UHFFFAOYSA-N
XLogP0.27
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sulfuric acid;1,2,3,3-tetramethyl-2H-indole
CID 69432557
1-tert-butyl-2,3,3-trimethyl-2H-indole
CID 162296328
(dimethyl(phenyl)azanium);dodecaborate
CID 139692201
3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine
CID 3343815
(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate
CID 2307444
2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
CID 67262655
6-(2,3,3-trimethyl-2H-indol-1-yl)hexanoic acid;hydrobromide
CID 146418024
9,9,10-trimethylacridine
CID 610451
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole
CID 163422251
4,4-dimethyl-3-phenyl-2,3a-dihydro-1H-imidazo[1,2-a]indole
CID 130368704
4-[(2,3,3-trimethyl-2H-indol-1-yl)methyl]benzoic acid
CID 141175126

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide?
The IUPAC name of dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide (CID 161089434) is dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide.
What is the SMILES notation for dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide?
The canonical SMILES for dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide is CC1N(C)c2ccccc2C1(C)C.C[NH+](C)c1ccccc1.[I-].
What is the InChIKey of dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide?
The InChIKey is WTCYIJGINNMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C8H11N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-9(2)8-6-4-3-5-7-8;/h5-9H,1-4H3;3-7H,1-2H3;1H.
What are the key properties of dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide?
dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide has a molecular weight of 424.37 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide is sourced from PubChem (CID 161089434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).