dimethyl(2-phenylethyl)azanium iodide

C10H16IN — CID 172779619

IUPACdimethyl(2-phenylethyl)azanium iodide
SMILESC[NH+](C)CCc1ccccc1.[I-]
InChIInChI=1S/C10H15N.HI/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKeyOBQVFPHUBPAIDU-UHFFFAOYSA-N
MW277.15 g/mol
LogP-2.62
Rot. Bonds3

About dimethyl(2-phenylethyl)azanium iodide

dimethyl(2-phenylethyl)azanium iodide (PubChem CID 172779619) has the molecular formula C10H16IN and a molecular weight of 277.15 g/mol. Its IUPAC name is dimethyl(2-phenylethyl)azanium iodide.

Molecular Properties

Compound Namedimethyl(2-phenylethyl)azanium iodide
PubChem CID172779619
Molecular FormulaC10H16IN
Molecular Weight277.15 g/mol
Exact Mass277.03
IUPAC Namedimethyl(2-phenylethyl)azanium iodide
SMILESC[NH+](C)CCc1ccccc1.[I-]
InChIInChI=1S/C10H15N.HI/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKeyOBQVFPHUBPAIDU-UHFFFAOYSA-N
XLogP-2.62
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
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CID 70271665
dimethyl(19-phenylnonadecyl)azanium;chloride;hydrate
CID 70269048
methanidyl-methyl-(2-phenylethyl)azanium;molecular hydrogen
CID 161416091
bis[3-(dimethylazaniumyl)propyl]-(3-phenylpropyl)azanium
CID 7047061
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CID 2736592
benzene;2-phenylethylbenzene
CID 18982764
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CID 175889972

Frequently Asked Questions

What is the IUPAC name of dimethyl(2-phenylethyl)azanium iodide?
The IUPAC name of dimethyl(2-phenylethyl)azanium iodide (CID 172779619) is dimethyl(2-phenylethyl)azanium iodide.
What is the SMILES notation for dimethyl(2-phenylethyl)azanium iodide?
The canonical SMILES for dimethyl(2-phenylethyl)azanium iodide is C[NH+](C)CCc1ccccc1.[I-].
What is the InChIKey of dimethyl(2-phenylethyl)azanium iodide?
The InChIKey is OBQVFPHUBPAIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.HI/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H.
What are the key properties of dimethyl(2-phenylethyl)azanium iodide?
dimethyl(2-phenylethyl)azanium iodide has a molecular weight of 277.15 g/mol, XLogP of -2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-phenylethyl)azanium iodide is sourced from PubChem (CID 172779619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).