trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide

C12H18IN — CID 6434150

IUPACtrimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide
SMILESC[N+](C)(C)C/C=C/c1ccccc1.[I-]
InChIInChI=1S/C12H18N.HI/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;/h4-10H,11H2,1-3H3;1H/q+1;/p-1/b10-7+;
InChIKeyIWEVOGUCAHZORO-HCUGZAAXSA-M
MW303.19 g/mol
LogP-0.59
Rot. Bonds3

About trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide

trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide (PubChem CID 6434150) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide
PubChem CID6434150
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Nametrimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide
SMILESC[N+](C)(C)C/C=C/c1ccccc1.[I-]
InChIInChI=1S/C12H18N.HI/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;/h4-10H,11H2,1-3H3;1H/q+1;/p-1/b10-7+;
InChIKeyIWEVOGUCAHZORO-HCUGZAAXSA-M
XLogP-0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 5-0.59
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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N,N-Dimethylbenzylamine
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Dimethylamphetamine
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Benzyl triethylammonium chloride
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Benzyltrimethylammonium methoxide
CID 8504
Dimethamphetamine
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Benzyltrimethylammonium iodide
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Benzyltrimethylammonium
CID 5964

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide?
The IUPAC name of trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide (CID 6434150) is trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide.
What is the SMILES notation for trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide?
The canonical SMILES for trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide is C[N+](C)(C)C/C=C/c1ccccc1.[I-].
What is the InChIKey of trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide?
The InChIKey is IWEVOGUCAHZORO-HCUGZAAXSA-M. The full InChI is InChI=1S/C12H18N.HI/c1-13(2,3)11-7-10-12-8-5-4-6-9-12;/h4-10H,11H2,1-3H3;1H/q+1;/p-1/b10-7+;.
What are the key properties of trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide?
trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide has a molecular weight of 303.19 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-phenylprop-2-enyl]azanium iodide is sourced from PubChem (CID 6434150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).