trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium

C17H22N3+ — CID 171384179

IUPACtrimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium
SMILESCNc1ccc(/N=C/c2ccc([N+](C)(C)C)cc2)cc1
InChIInChI=1S/C17H22N3/c1-18-15-7-9-16(10-8-15)19-13-14-5-11-17(12-6-14)20(2,3)4/h5-13,18H,1-4H3/q+1/b19-13+
InChIKeyXELGSLKURYSXHI-CPNJWEJPSA-N
MW268.38 g/mol
LogP3.68
Rot. Bonds4

About trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium

trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium (PubChem CID 171384179) has the molecular formula C17H22N3+ and a molecular weight of 268.38 g/mol. Its IUPAC name is trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium
PubChem CID171384179
Molecular FormulaC17H22N3+
Molecular Weight268.38 g/mol
Exact Mass268.18
IUPAC Nametrimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium
SMILESCNc1ccc(/N=C/c2ccc([N+](C)(C)C)cc2)cc1
InChIInChI=1S/C17H22N3/c1-18-15-7-9-16(10-8-15)19-13-14-5-11-17(12-6-14)20(2,3)4/h5-13,18H,1-4H3/q+1/b19-13+
InChIKeyXELGSLKURYSXHI-CPNJWEJPSA-N
XLogP3.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium?
The IUPAC name of trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium (CID 171384179) is trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium.
What is the SMILES notation for trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium?
The canonical SMILES for trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium is CNc1ccc(/N=C/c2ccc([N+](C)(C)C)cc2)cc1.
What is the InChIKey of trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium?
The InChIKey is XELGSLKURYSXHI-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H22N3/c1-18-15-7-9-16(10-8-15)19-13-14-5-11-17(12-6-14)20(2,3)4/h5-13,18H,1-4H3/q+1/b19-13+.
What are the key properties of trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium?
trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium has a molecular weight of 268.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium is sourced from PubChem (CID 171384179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).