1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine

C20H25N3O — CID 619623

IUPAC1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine
SMILESCOc1cc(NCCCC(C)N)c2nc3ccccc3c(C)c2c1
InChIInChI=1S/C20H25N3O/c1-13(21)7-6-10-22-19-12-15(24-3)11-17-14(2)16-8-4-5-9-18(16)23-20(17)19/h4-5,8-9,11-13,22H,6-7,10,21H2,1-3H3
InChIKeyBZJZKHNOWYNABG-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.24
Rot. Bonds6

About 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine

1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine (PubChem CID 619623) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine
PubChem CID619623
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine
SMILESCOc1cc(NCCCC(C)N)c2nc3ccccc3c(C)c2c1
InChIInChI=1S/C20H25N3O/c1-13(21)7-6-10-22-19-12-15(24-3)11-17-14(2)16-8-4-5-9-18(16)23-20(17)19/h4-5,8-9,11-13,22H,6-7,10,21H2,1-3H3
InChIKeyBZJZKHNOWYNABG-UHFFFAOYSA-N
XLogP4.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(4R)-1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine
CID 129361785
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
CID 115203598
(4S)-1-N-acridin-9-yl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 39070210
1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
CID 115203637
1-N-(6-methoxy-4-methylquinolin-8-yl)octane-1,6-diamine
CID 141175869
7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
CID 175783539
N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
CID 114150940
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
N,N'-bis(3-methoxyacridin-9-yl)butane-1,4-diamine;hydrochloride
CID 54598620
8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine
CID 71565268

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine (CID 619623) is 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine is COc1cc(NCCCC(C)N)c2nc3ccccc3c(C)c2c1.
What is the InChIKey of 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine?
The InChIKey is BZJZKHNOWYNABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(21)7-6-10-22-19-12-15(24-3)11-17-14(2)16-8-4-5-9-18(16)23-20(17)19/h4-5,8-9,11-13,22H,6-7,10,21H2,1-3H3.
What are the key properties of 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine?
1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine has a molecular weight of 323.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-9-methylacridin-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 619623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).