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

C17H23ClN3+ — CID 171384178

IUPACtrimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride
SMILESCNc1ccc(/N=C/c2ccc([N+](C)(C)C)cc2)cc1.Cl
InChIInChI=1S/C17H22N3.ClH/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;1H/q+1;/b19-13+;
InChIKeyWJKHNMHHQOAWKY-XTWSRORZSA-N
MW304.85 g/mol
LogP4.10
Rot. Bonds4

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

trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride (PubChem CID 171384178) has the molecular formula C17H23ClN3+ and a molecular weight of 304.85 g/mol. Its IUPAC name is trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride.

Molecular Properties

Compound Nametrimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride
PubChem CID171384178
Molecular FormulaC17H23ClN3+
Molecular Weight304.85 g/mol
Exact Mass304.16
IUPAC Nametrimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride
SMILESCNc1ccc(/N=C/c2ccc([N+](C)(C)C)cc2)cc1.Cl
InChIInChI=1S/C17H22N3.ClH/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;1H/q+1;/b19-13+;
InChIKeyWJKHNMHHQOAWKY-XTWSRORZSA-N
XLogP4.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.10
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;hydrochloride?
The IUPAC name of trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride (CID 171384178) is trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride.
What is the SMILES notation for trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride?
The canonical SMILES for trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride is CNc1ccc(/N=C/c2ccc([N+](C)(C)C)cc2)cc1.Cl.
What is the InChIKey of trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride?
The InChIKey is WJKHNMHHQOAWKY-XTWSRORZSA-N. The full InChI is InChI=1S/C17H22N3.ClH/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;1H/q+1;/b19-13+;.
What are the key properties of trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride?
trimethyl-[4-[[4-(methylamino)phenyl]iminomethyl]phenyl]azanium;hydrochloride has a molecular weight of 304.85 g/mol, XLogP of 4.10, 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;hydrochloride is sourced from PubChem (CID 171384178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).