1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine

C23H33N5 — CID 90717674

IUPAC1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
SMILESCN(C)CCCNc1ccc2nc3ccccc3cc2c1NCCCN(C)C
InChIInChI=1S/C23H33N5/c1-27(2)15-7-13-24-22-12-11-21-19(23(22)25-14-8-16-28(3)4)17-18-9-5-6-10-20(18)26-21/h5-6,9-12,17,24-25H,7-8,13-16H2,1-4H3
InChIKeyXZLBRIUQDJRVKF-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.12
Rot. Bonds10

About 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine

1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine (PubChem CID 90717674) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
PubChem CID90717674
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine
SMILESCN(C)CCCNc1ccc2nc3ccccc3cc2c1NCCCN(C)C
InChIInChI=1S/C23H33N5/c1-27(2)15-7-13-24-22-12-11-21-19(23(22)25-14-8-16-28(3)4)17-18-9-5-6-10-20(18)26-21/h5-6,9-12,17,24-25H,7-8,13-16H2,1-4H3
InChIKeyXZLBRIUQDJRVKF-UHFFFAOYSA-N
XLogP4.12
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine
CID 91527469
bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
CID 157354468
9-N-[3-(dimethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridine-3,6,9-triamine;dihydrochloride
CID 165412452
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
N',N'-dimethyl-N-(quinolino[3,2-a]acridin-6-ylmethyl)propane-1,3-diamine
CID 15546844
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
CID 10451757
N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine;hydrochloride
CID 54607240
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
N-(3,3-dimethyl-1H-furo[3,4-b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
CID 12593747

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine (CID 90717674) is 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine is CN(C)CCCNc1ccc2nc3ccccc3cc2c1NCCCN(C)C.
What is the InChIKey of 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine?
The InChIKey is XZLBRIUQDJRVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-27(2)15-7-13-24-22-12-11-21-19(23(22)25-14-8-16-28(3)4)17-18-9-5-6-10-20(18)26-21/h5-6,9-12,17,24-25H,7-8,13-16H2,1-4H3.
What are the key properties of 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine?
1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine has a molecular weight of 379.55 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[3-(dimethylamino)propyl]acridine-1,2-diamine is sourced from PubChem (CID 90717674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).