2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine

C24H25N3 — CID 171793409

IUPAC2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine
SMILESCCCNc1c2ccccc2nc2ccc(Nc3ccc(C)c(C)c3)cc12
InChIInChI=1S/C24H25N3/c1-4-13-25-24-20-7-5-6-8-22(20)27-23-12-11-19(15-21(23)24)26-18-10-9-16(2)17(3)14-18/h5-12,14-15,26H,4,13H2,1-3H3,(H,25,27)
InChIKeyYRNDAQNRXORRHF-UHFFFAOYSA-N
MW355.49 g/mol
LogP6.57
Rot. Bonds5

About 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine

2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine (PubChem CID 171793409) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine
PubChem CID171793409
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine
SMILESCCCNc1c2ccccc2nc2ccc(Nc3ccc(C)c(C)c3)cc12
InChIInChI=1S/C24H25N3/c1-4-13-25-24-20-7-5-6-8-22(20)27-23-12-11-19(15-21(23)24)26-18-10-9-16(2)17(3)14-18/h5-12,14-15,26H,4,13H2,1-3H3,(H,25,27)
InChIKeyYRNDAQNRXORRHF-UHFFFAOYSA-N
XLogP6.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745
6-methyl-N-propylphenanthridin-8-amine
CID 102572857
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane
CID 171793158
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine
CID 63481112
N-[4-(4-propylpiperazin-1-yl)butyl]acridin-9-amine;hydrochloride
CID 44531426
2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479722
6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480956
6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63553537
2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589382

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine (CID 171793409) is 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine is CCCNc1c2ccccc2nc2ccc(Nc3ccc(C)c(C)c3)cc12.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine?
The InChIKey is YRNDAQNRXORRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-4-13-25-24-20-7-5-6-8-22(20)27-23-12-11-19(15-21(23)24)26-18-10-9-16(2)17(3)14-18/h5-12,14-15,26H,4,13H2,1-3H3,(H,25,27).
What are the key properties of 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine?
2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine has a molecular weight of 355.49 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine is sourced from PubChem (CID 171793409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).