9-iodo-1,2,3,4-tetrahydroacridine

C13H12IN — CID 628104

IUPAC9-iodo-1,2,3,4-tetrahydroacridine
SMILESIc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H12IN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
InChIKeyHGJQOURAEAOABA-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.72
Rot. Bonds

About 9-iodo-1,2,3,4-tetrahydroacridine

9-iodo-1,2,3,4-tetrahydroacridine (PubChem CID 628104) has the molecular formula C13H12IN and a molecular weight of 309.15 g/mol. Its IUPAC name is 9-iodo-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-iodo-1,2,3,4-tetrahydroacridine
PubChem CID628104
Molecular FormulaC13H12IN
Molecular Weight309.15 g/mol
Exact Mass309.00
IUPAC Name9-iodo-1,2,3,4-tetrahydroacridine
SMILESIc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H12IN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
InChIKeyHGJQOURAEAOABA-UHFFFAOYSA-N
XLogP3.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
9-(bromomethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82449852
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82449837
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-benzyl-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 175457646
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499

Frequently Asked Questions

What is the IUPAC name of 9-iodo-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-iodo-1,2,3,4-tetrahydroacridine (CID 628104) is 9-iodo-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-iodo-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-iodo-1,2,3,4-tetrahydroacridine is Ic1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 9-iodo-1,2,3,4-tetrahydroacridine?
The InChIKey is HGJQOURAEAOABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2.
What are the key properties of 9-iodo-1,2,3,4-tetrahydroacridine?
9-iodo-1,2,3,4-tetrahydroacridine has a molecular weight of 309.15 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 628104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).