trimethyl-[(E)-1-phenylethylideneamino]azanium

C11H17N2+ — CID 6054251

IUPACtrimethyl-[(E)-1-phenylethylideneamino]azanium
SMILESC/C(=N\[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C11H17N2/c1-10(12-13(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/q+1/b12-10+
InChIKeyLWWZABCGEWMYFH-ZRDIBKRKSA-N
MW177.27 g/mol
LogP2.12
Rot. Bonds2

About trimethyl-[(E)-1-phenylethylideneamino]azanium

trimethyl-[(E)-1-phenylethylideneamino]azanium (PubChem CID 6054251) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is trimethyl-[(E)-1-phenylethylideneamino]azanium.

Molecular Properties

Compound Nametrimethyl-[(E)-1-phenylethylideneamino]azanium
PubChem CID6054251
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Nametrimethyl-[(E)-1-phenylethylideneamino]azanium
SMILESC/C(=N\[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C11H17N2/c1-10(12-13(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/q+1/b12-10+
InChIKeyLWWZABCGEWMYFH-ZRDIBKRKSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-phenylethylideneamino]azanium?
The IUPAC name of trimethyl-[(E)-1-phenylethylideneamino]azanium (CID 6054251) is trimethyl-[(E)-1-phenylethylideneamino]azanium.
What is the SMILES notation for trimethyl-[(E)-1-phenylethylideneamino]azanium?
The canonical SMILES for trimethyl-[(E)-1-phenylethylideneamino]azanium is C/C(=N\[N+](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl-[(E)-1-phenylethylideneamino]azanium?
The InChIKey is LWWZABCGEWMYFH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H17N2/c1-10(12-13(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/q+1/b12-10+.
What are the key properties of trimethyl-[(E)-1-phenylethylideneamino]azanium?
trimethyl-[(E)-1-phenylethylideneamino]azanium has a molecular weight of 177.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-phenylethylideneamino]azanium is sourced from PubChem (CID 6054251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).