ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide

C12H19NO — CID 175283784

IUPACethyl-dimethyl-(2-phenylethenyl)azanium hydroxide
SMILESCC[N+](C)(C)C=Cc1ccccc1.[OH-]
InChIInChI=1S/C12H18N.H2O/c1-4-13(2,3)11-10-12-8-6-5-7-9-12;/h5-11H,4H2,1-3H3;1H2/q+1;/p-1
InChIKeyQLLZTIIGSJJGQJ-UHFFFAOYSA-M
MW193.29 g/mol
LogP2.58
Rot. Bonds3

About ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide

ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide (PubChem CID 175283784) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide.

Molecular Properties

Compound Nameethyl-dimethyl-(2-phenylethenyl)azanium hydroxide
PubChem CID175283784
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethyl-dimethyl-(2-phenylethenyl)azanium hydroxide
SMILESCC[N+](C)(C)C=Cc1ccccc1.[OH-]
InChIInChI=1S/C12H18N.H2O/c1-4-13(2,3)11-10-12-8-6-5-7-9-12;/h5-11H,4H2,1-3H3;1H2/q+1;/p-1
InChIKeyQLLZTIIGSJJGQJ-UHFFFAOYSA-M
XLogP2.58
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-2-phenylethenyl]azanium chloride
CID 87786128
benzene;but-1-enylbenzene
CID 157481332
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
4-phenylbuta-1,3-dienylbenzene;bis(tripropylphosphane)
CID 173264936
octyl-diphenyl-(2-phenylethenyl)azanium
CID 87513778
CID 70567885
CID 70567885
CID 70569152
CID 70569152
ethyl(trimethyl)azanium;2-methylpropane;styrene
CID 90953854
N,N-dimethylmethanamine;stilbene
CID 174368184
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride
CID 159140838
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide?
The IUPAC name of ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide (CID 175283784) is ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide.
What is the SMILES notation for ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide?
The canonical SMILES for ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide is CC[N+](C)(C)C=Cc1ccccc1.[OH-].
What is the InChIKey of ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide?
The InChIKey is QLLZTIIGSJJGQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18N.H2O/c1-4-13(2,3)11-10-12-8-6-5-7-9-12;/h5-11H,4H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide?
ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide has a molecular weight of 193.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide is sourced from PubChem (CID 175283784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).