6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide

C14H22INO2 — CID 21392898

IUPAC6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide
SMILESCCN(CC)C1CCc2c(ccc(O)c2O)C1.I
InChIInChI=1S/C14H21NO2.HI/c1-3-15(4-2)11-6-7-12-10(9-11)5-8-13(16)14(12)17;/h5,8,11,16-17H,3-4,6-7,9H2,1-2H3;1H
InChIKeyIGLPAANIUQAFDQ-UHFFFAOYSA-N
MW363.24 g/mol
LogP2.91
Rot. Bonds3

About 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide

6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide (PubChem CID 21392898) has the molecular formula C14H22INO2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide.

Molecular Properties

Compound Name6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide
PubChem CID21392898
Molecular FormulaC14H22INO2
Molecular Weight363.24 g/mol
Exact Mass363.07
IUPAC Name6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide
SMILESCCN(CC)C1CCc2c(ccc(O)c2O)C1.I
InChIInChI=1S/C14H21NO2.HI/c1-3-15(4-2)11-6-7-12-10(9-11)5-8-13(16)14(12)17;/h5,8,11,16-17H,3-4,6-7,9H2,1-2H3;1H
InChIKeyIGLPAANIUQAFDQ-UHFFFAOYSA-N
XLogP2.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 143768992
(6S)-6-[2-butoxyethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 15228242
N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 143769051
(6S)-6-[6-[3-(4-hydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877973
6-[6-[3-(3,4-dihydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906017
(6S)-6-[6-[2-(4-aminophenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877949
N-[6-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836522
(6S)-6-[6-[2-(4-hydroxy-3-methylphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877944
6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 12581200
6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906072
(6S)-6-[propyl-[6-(3-pyridin-3-ylpropylamino)hexyl]amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 70064510
(6S)-6-[6-[2-(3-hydroxyphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol;dihydrobromide
CID 70066132

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide?
The IUPAC name of 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide (CID 21392898) is 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide.
What is the SMILES notation for 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide?
The canonical SMILES for 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide is CCN(CC)C1CCc2c(ccc(O)c2O)C1.I.
What is the InChIKey of 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide?
The InChIKey is IGLPAANIUQAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.HI/c1-3-15(4-2)11-6-7-12-10(9-11)5-8-13(16)14(12)17;/h5,8,11,16-17H,3-4,6-7,9H2,1-2H3;1H.
What are the key properties of 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide?
6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide has a molecular weight of 363.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide is sourced from PubChem (CID 21392898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).