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

C12H18N+ — CID 6434151

IUPACtrimethyl-[(E)-3-phenylprop-2-enyl]azanium
SMILESC[N+](C)(C)C/C=C/c1ccccc1
InChIInChI=1S/C12H18N/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/q+1/b10-7+
InChIKeyHPNMQODYDDASPL-JXMROGBWSA-N
MW176.28 g/mol
LogP2.41
Rot. Bonds3

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

trimethyl-[(E)-3-phenylprop-2-enyl]azanium (PubChem CID 6434151) has the molecular formula C12H18N+ and a molecular weight of 176.28 g/mol. Its IUPAC name is trimethyl-[(E)-3-phenylprop-2-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(E)-3-phenylprop-2-enyl]azanium
PubChem CID6434151
Molecular FormulaC12H18N+
Molecular Weight176.28 g/mol
Exact Mass176.14
IUPAC Nametrimethyl-[(E)-3-phenylprop-2-enyl]azanium
SMILESC[N+](C)(C)C/C=C/c1ccccc1
InChIInChI=1S/C12H18N/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/q+1/b10-7+
InChIKeyHPNMQODYDDASPL-JXMROGBWSA-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-bromoethyl-dimethyl-(3-phenylprop-2-enyl)azanium
CID 4162929
2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium
CID 57155174
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
benzene;but-1-enylbenzene
CID 157481332
methyl-dioctadecyl-(3-phenylprop-2-enyl)azanium
CID 70003563
[methyl-phenyl-(3-phenylprop-2-enyl)azaniumyl]formate
CID 67682452
CID 70569152
CID 70569152
dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
CID 73385961
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
CID 140512150
CID 140512150
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
CID 126693424
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-phenylprop-2-enyl]azanium?
The IUPAC name of trimethyl-[(E)-3-phenylprop-2-enyl]azanium (CID 6434151) is trimethyl-[(E)-3-phenylprop-2-enyl]azanium.
What is the SMILES notation for trimethyl-[(E)-3-phenylprop-2-enyl]azanium?
The canonical SMILES for trimethyl-[(E)-3-phenylprop-2-enyl]azanium is C[N+](C)(C)C/C=C/c1ccccc1.
What is the InChIKey of trimethyl-[(E)-3-phenylprop-2-enyl]azanium?
The InChIKey is HPNMQODYDDASPL-JXMROGBWSA-N. The full InChI is InChI=1S/C12H18N/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/q+1/b10-7+.
What are the key properties of trimethyl-[(E)-3-phenylprop-2-enyl]azanium?
trimethyl-[(E)-3-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-[(E)-3-phenylprop-2-enyl]azanium is sourced from PubChem (CID 6434151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).