3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride

C17H20ClN3 — CID 517204

IUPAC3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride
SMILESCN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;/h5-11H,1-4H3;1H
InChIKeyVSTHNGLPHBTRMB-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.94
Rot. Bonds2

About 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride

3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride (PubChem CID 517204) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride
PubChem CID517204
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride
SMILESCN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;/h5-11H,1-4H3;1H
InChIKeyVSTHNGLPHBTRMB-UHFFFAOYSA-N
XLogP3.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride?
The IUPAC name of 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride (CID 517204) is 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride is CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1.Cl.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride?
The InChIKey is VSTHNGLPHBTRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;/h5-11H,1-4H3;1H.
What are the key properties of 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride?
3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;hydrochloride is sourced from PubChem (CID 517204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).