trimethyl(2-phenylprop-2-enyl)azanium

C12H18N+ — CID 10901234

IUPACtrimethyl(2-phenylprop-2-enyl)azanium
SMILESC=C(C[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H18N/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3/q+1
InChIKeySEHMHSJBJVDTNH-UHFFFAOYSA-N
MW176.28 g/mol
LogP2.41
Rot. Bonds3

About trimethyl(2-phenylprop-2-enyl)azanium

trimethyl(2-phenylprop-2-enyl)azanium (PubChem CID 10901234) has the molecular formula C12H18N+ and a molecular weight of 176.28 g/mol. Its IUPAC name is trimethyl(2-phenylprop-2-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-phenylprop-2-enyl)azanium
PubChem CID10901234
Molecular FormulaC12H18N+
Molecular Weight176.28 g/mol
Exact Mass176.14
IUPAC Nametrimethyl(2-phenylprop-2-enyl)azanium
SMILESC=C(C[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H18N/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3/q+1
InChIKeySEHMHSJBJVDTNH-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)prop-2-enyl-trimethylazanium
CID 14174230
2-hydroxyethyl-dimethyl-(2-phenylprop-2-enyl)azanium
CID 20792573
tributyl(2-phenylprop-2-enyl)azanium
CID 20792578
trimethyl(phenacyl)azanium chloride
CID 10443212
pent-1-en-2-ylbenzene
CID 521761
dibutyl-(2-phenylprop-2-enyl)-propylazanium bromide
CID 159524778
(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
2-phenylprop-2-en-1-amine;propane
CID 143101756
trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761
diheptyl-methyl-(2-phenylprop-2-enyl)azanium;tetraphenylboranuide
CID 161058634
benzenesulfonate;dimethyl-octyl-(2-phenylprop-2-enyl)azanium
CID 161180099
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-phenylprop-2-enyl)azanium?
The IUPAC name of trimethyl(2-phenylprop-2-enyl)azanium (CID 10901234) is trimethyl(2-phenylprop-2-enyl)azanium.
What is the SMILES notation for trimethyl(2-phenylprop-2-enyl)azanium?
The canonical SMILES for trimethyl(2-phenylprop-2-enyl)azanium is C=C(C[N+](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl(2-phenylprop-2-enyl)azanium?
The InChIKey is SEHMHSJBJVDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3/q+1.
What are the key properties of trimethyl(2-phenylprop-2-enyl)azanium?
trimethyl(2-phenylprop-2-enyl)azanium has a molecular weight of 176.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phenylprop-2-enyl)azanium is sourced from PubChem (CID 10901234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).