N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine

C23H27N3 — CID 90654891

IUPACN-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)nc1
InChIInChI=1S/C23H27N3/c1(2-10-18-11-7-9-16-24-18)8-17-25-23-19-12-3-5-14-21(19)26-22-15-6-4-13-20(22)23/h3,5,7,9,11-12,14,16H,1-2,4,6,8,10,13,15,17H2,(H,25,26)
InChIKeyXWILTRCLQISZDK-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.33
Rot. Bonds7

About N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine

N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 90654891) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID90654891
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC NameN-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)nc1
InChIInChI=1S/C23H27N3/c1(2-10-18-11-7-9-16-24-18)8-17-25-23-19-12-3-5-14-21(19)26-22-15-6-4-13-20(22)23/h3,5,7,9,11-12,14,16H,1-2,4,6,8,10,13,15,17H2,(H,25,26)
InChIKeyXWILTRCLQISZDK-UHFFFAOYSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tacrine
CID 1935
Dequalinium Chloride
CID 10649
Quinoline
CID 7047
Proflavine
CID 7099
Tacrine Hydrochloride
CID 2723754
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
9-Aminoacridine
CID 7019
4,7-Diphenyl-1,10-phenanthroline
CID 72812
3,6-Diamino-10-methylacridinium Chloride
CID 6842
9-Aminoacridine hydrochloride
CID 8643

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 90654891) is N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine is c1ccc(CCCCCNc2c3c(nc4ccccc24)CCCC3)nc1.
What is the InChIKey of N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is XWILTRCLQISZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1(2-10-18-11-7-9-16-24-18)8-17-25-23-19-12-3-5-14-21(19)26-22-15-6-4-13-20(22)23/h3,5,7,9,11-12,14,16H,1-2,4,6,8,10,13,15,17H2,(H,25,26).
What are the key properties of N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine?
N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 345.49 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-ylpentyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 90654891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).