N'-acridin-9-yl-N-benzylpropane-1,3-diamine

C23H23N3 — CID 175018670

IUPACN'-acridin-9-yl-N-benzylpropane-1,3-diamine
SMILESc1ccc(CNCCCNc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C23H23N3/c1-2-9-18(10-3-1)17-24-15-8-16-25-23-19-11-4-6-13-21(19)26-22-14-7-5-12-20(22)23/h1-7,9-14,24H,8,15-17H2,(H,25,26)
InChIKeyJCLZPDSMAGMLMF-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.98
Rot. Bonds7

About N'-acridin-9-yl-N-benzylpropane-1,3-diamine

N'-acridin-9-yl-N-benzylpropane-1,3-diamine (PubChem CID 175018670) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N'-acridin-9-yl-N-benzylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-acridin-9-yl-N-benzylpropane-1,3-diamine
PubChem CID175018670
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN'-acridin-9-yl-N-benzylpropane-1,3-diamine
SMILESc1ccc(CNCCCNc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C23H23N3/c1-2-9-18(10-3-1)17-24-15-8-16-25-23-19-11-4-6-13-21(19)26-22-14-7-5-12-20(22)23/h1-7,9-14,24H,8,15-17H2,(H,25,26)
InChIKeyJCLZPDSMAGMLMF-UHFFFAOYSA-N
XLogP4.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
CID 58572013
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
4-[3-(benzylamino)propylamino]-2H-phthalazin-1-one
CID 22343074
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
2-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol
CID 71460116
N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine
CID 142560464
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
N-acridin-9-yl-N'-[4-[4-(acridin-9-ylamino)butyl-(3-aminopropyl)amino]butyl]-N'-(3-aminopropyl)butane-1,4-diamine;dihydrochloride
CID 45261740

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-N-benzylpropane-1,3-diamine?
The IUPAC name of N'-acridin-9-yl-N-benzylpropane-1,3-diamine (CID 175018670) is N'-acridin-9-yl-N-benzylpropane-1,3-diamine.
What is the SMILES notation for N'-acridin-9-yl-N-benzylpropane-1,3-diamine?
The canonical SMILES for N'-acridin-9-yl-N-benzylpropane-1,3-diamine is c1ccc(CNCCCNc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of N'-acridin-9-yl-N-benzylpropane-1,3-diamine?
The InChIKey is JCLZPDSMAGMLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-9-18(10-3-1)17-24-15-8-16-25-23-19-11-4-6-13-21(19)26-22-14-7-5-12-20(22)23/h1-7,9-14,24H,8,15-17H2,(H,25,26).
What are the key properties of N'-acridin-9-yl-N-benzylpropane-1,3-diamine?
N'-acridin-9-yl-N-benzylpropane-1,3-diamine has a molecular weight of 341.46 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-N-benzylpropane-1,3-diamine is sourced from PubChem (CID 175018670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).