9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride

C22H33Cl2N5 — CID 165412452

IUPAC9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
SMILESCN(C)CCCNc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12.Cl.Cl
InChIInChI=1S/C22H31N5.2ClH/c1-25(2)13-7-12-23-22-18-10-8-16(26(3)4)14-20(18)24-21-15-17(27(5)6)9-11-19(21)22;;/h8-11,14-15H,7,12-13H2,1-6H3,(H,23,24);2*1H
InChIKeyQFTZLLNIVBXXJG-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.73
Rot. Bonds7

About 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride

9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride (PubChem CID 165412452) has the molecular formula C22H33Cl2N5 and a molecular weight of 438.45 g/mol. Its IUPAC name is 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride.

Molecular Properties

Compound Name9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
PubChem CID165412452
Molecular FormulaC22H33Cl2N5
Molecular Weight438.45 g/mol
Exact Mass437.21
IUPAC Name9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
SMILESCN(C)CCCNc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12.Cl.Cl
InChIInChI=1S/C22H31N5.2ClH/c1-25(2)13-7-12-23-22-18-10-8-16(26(3)4)14-20(18)24-21-15-17(27(5)6)9-11-19(21)22;;/h8-11,14-15H,7,12-13H2,1-6H3,(H,23,24);2*1H
InChIKeyQFTZLLNIVBXXJG-UHFFFAOYSA-N
XLogP4.73
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 54606894
4-[3-(dimethylamino)propylamino]-1,3-dimethyl-2H-pyrazolo[3,4-b]quinolin-7-one;hydrochloride
CID 90678694
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
CID 90717674
4-[3-(dimethylamino)propylamino]-N-hydroxy-2,3-dimethylquinolin-7-amine oxide;hydrochloride
CID 21142410
N-[1,3-dimethyl-7-(trifluoromethyl)pyrazolo[3,4-b]quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678665
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
9-[3-(dimethylamino)propylamino]-N-hydroxy-4-methylacridin-1-amine oxide;hydrochloride
CID 21122674
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606

Frequently Asked Questions

What is the IUPAC name of 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride?
The IUPAC name of 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride (CID 165412452) is 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride.
What is the SMILES notation for 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride?
The canonical SMILES for 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride is CN(C)CCCNc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12.Cl.Cl.
What is the InChIKey of 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride?
The InChIKey is QFTZLLNIVBXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5.2ClH/c1-25(2)13-7-12-23-22-18-10-8-16(26(3)4)14-20(18)24-21-15-17(27(5)6)9-11-19(21)22;;/h8-11,14-15H,7,12-13H2,1-6H3,(H,23,24);2*1H.
What are the key properties of 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride?
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride has a molecular weight of 438.45 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride is sourced from PubChem (CID 165412452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).