N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine

C20H23Cl2N3 — CID 142560464

IUPACN'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine
SMILESCCC(Cl)CNCCCNc1c2ccccc2nc2cc(Cl)ccc12
InChIInChI=1S/C20H23Cl2N3/c1-2-14(21)13-23-10-5-11-24-20-16-6-3-4-7-18(16)25-19-12-15(22)8-9-17(19)20/h3-4,6-9,12,14,23H,2,5,10-11,13H2,1H3,(H,24,25)
InChIKeyGFTMUHCDRFQHDP-UHFFFAOYSA-N
MW376.33 g/mol
LogP5.45
Rot. Bonds8

About N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine

N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine (PubChem CID 142560464) has the molecular formula C20H23Cl2N3 and a molecular weight of 376.33 g/mol. Its IUPAC name is N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine
PubChem CID142560464
Molecular FormulaC20H23Cl2N3
Molecular Weight376.33 g/mol
Exact Mass375.13
IUPAC NameN'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine
SMILESCCC(Cl)CNCCCNc1c2ccccc2nc2cc(Cl)ccc12
InChIInChI=1S/C20H23Cl2N3/c1-2-14(21)13-23-10-5-11-24-20-16-6-3-4-7-18(16)25-19-12-15(22)8-9-17(19)20/h3-4,6-9,12,14,23H,2,5,10-11,13H2,1H3,(H,24,25)
InChIKeyGFTMUHCDRFQHDP-UHFFFAOYSA-N
XLogP5.45
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 55.45
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-acridin-9-yl-N-benzylpropane-1,3-diamine
CID 175018670
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
CID 58572013
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 23422070
2-chloro-N-(4-phenylbutyl)butan-1-amine
CID 114334752
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine?
The IUPAC name of N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine (CID 142560464) is N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine is CCC(Cl)CNCCCNc1c2ccccc2nc2cc(Cl)ccc12.
What is the InChIKey of N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine?
The InChIKey is GFTMUHCDRFQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3/c1-2-14(21)13-23-10-5-11-24-20-16-6-3-4-7-18(16)25-19-12-15(22)8-9-17(19)20/h3-4,6-9,12,14,23H,2,5,10-11,13H2,1H3,(H,24,25).
What are the key properties of N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine?
N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine has a molecular weight of 376.33 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloroacridin-9-yl)-N-(2-chlorobutyl)propane-1,3-diamine is sourced from PubChem (CID 142560464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).