1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide

C13H16I2N2 — CID 89284205

IUPAC1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
SMILESI.I.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H14N2.2HI/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,(H2,14,15);2*1H
InChIKeyLMRHBYRBJYGTEN-UHFFFAOYSA-N
MW454.09 g/mol
LogP3.93
Rot. Bonds

About 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide

1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide (PubChem CID 89284205) has the molecular formula C13H16I2N2 and a molecular weight of 454.09 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
PubChem CID89284205
Molecular FormulaC13H16I2N2
Molecular Weight454.09 g/mol
Exact Mass453.94
IUPAC Name1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
SMILESI.I.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H14N2.2HI/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,(H2,14,15);2*1H
InChIKeyLMRHBYRBJYGTEN-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.09
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane
CID 142881752
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
acridin-9-amine;λ2-plumbane
CID 173496858
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
CID 54109780
1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine
CID 158872103
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide?
The IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide (CID 89284205) is 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide.
What is the SMILES notation for 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide?
The canonical SMILES for 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide is I.I.Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide?
The InChIKey is LMRHBYRBJYGTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.2HI/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,(H2,14,15);2*1H.
What are the key properties of 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide?
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide has a molecular weight of 454.09 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide is sourced from PubChem (CID 89284205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).