ethyl-dimethyl-(1-phenylprop-2-enyl)azanium

C13H20N+ — CID 22066560

IUPACethyl-dimethyl-(1-phenylprop-2-enyl)azanium
SMILESC=CC(c1ccccc1)[N+](C)(C)CC
InChIInChI=1S/C13H20N/c1-5-13(14(3,4)6-2)12-10-8-7-9-11-12/h5,7-11,13H,1,6H2,2-4H3/q+1
InChIKeyJAXKEWUYNUGGSC-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.01
Rot. Bonds4

About ethyl-dimethyl-(1-phenylprop-2-enyl)azanium

ethyl-dimethyl-(1-phenylprop-2-enyl)azanium (PubChem CID 22066560) has the molecular formula C13H20N+ and a molecular weight of 190.31 g/mol. Its IUPAC name is ethyl-dimethyl-(1-phenylprop-2-enyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(1-phenylprop-2-enyl)azanium
PubChem CID22066560
Molecular FormulaC13H20N+
Molecular Weight190.31 g/mol
Exact Mass190.16
IUPAC Nameethyl-dimethyl-(1-phenylprop-2-enyl)azanium
SMILESC=CC(c1ccccc1)[N+](C)(C)CC
InChIInChI=1S/C13H20N/c1-5-13(14(3,4)6-2)12-10-8-7-9-11-12/h5,7-11,13H,1,6H2,2-4H3/q+1
InChIKeyJAXKEWUYNUGGSC-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride
CID 139432999
tributyl(1-phenylprop-2-enyl)azanium chloride
CID 22044442
tridodecyl(1-phenylprop-2-enyl)azanium
CID 87960565
benzyl-dimethyl-(1-phenylprop-2-enyl)azanium;4-ethenylpyridine;chloride
CID 86735557
(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium
CID 91468950
[ethoxy(phenyl)methyl]-ethyl-dimethylazanium
CID 87407327
N,N-dimethylprop-2-en-1-amine;ethyl-dimethyl-(1-phenylbut-3-enyl)azanium;bromide;hydrobromide
CID 173165953
chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
CID 158829603
ethane-1,2-diol;bis(2-methylprop-2-enoate);tris(trimethyl(1-phenylprop-2-enyl)azanium);chloride
CID 173013341
dodecyl-bis(2-hydroxyethyl)-(1-phenylprop-2-enyl)azanium chloride
CID 172751748
1,2-diphenylethyl-ethyl-dimethylazanium chloride
CID 175355972
[chloro(phenyl)methyl]-dimethyl-prop-2-enylazanium
CID 87644152

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(1-phenylprop-2-enyl)azanium?
The IUPAC name of ethyl-dimethyl-(1-phenylprop-2-enyl)azanium (CID 22066560) is ethyl-dimethyl-(1-phenylprop-2-enyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(1-phenylprop-2-enyl)azanium?
The canonical SMILES for ethyl-dimethyl-(1-phenylprop-2-enyl)azanium is C=CC(c1ccccc1)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(1-phenylprop-2-enyl)azanium?
The InChIKey is JAXKEWUYNUGGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N/c1-5-13(14(3,4)6-2)12-10-8-7-9-11-12/h5,7-11,13H,1,6H2,2-4H3/q+1.
What are the key properties of ethyl-dimethyl-(1-phenylprop-2-enyl)azanium?
ethyl-dimethyl-(1-phenylprop-2-enyl)azanium has a molecular weight of 190.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(1-phenylprop-2-enyl)azanium is sourced from PubChem (CID 22066560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).