6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide

C20H26N4O — CID 159986833

IUPAC6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide
SMILESCC/N=C(\N)c1ccc(Oc2ccc3c(c2)CCCC3CCN)nc1
InChIInChI=1S/C20H26N4O/c1-2-23-20(22)16-6-9-19(24-13-16)25-17-7-8-18-14(10-11-21)4-3-5-15(18)12-17/h6-9,12-14H,2-5,10-11,21H2,1H3,(H2,22,23)
InChIKeyOGLFECPXDFUKJU-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.37
Rot. Bonds6

About 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide

6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide (PubChem CID 159986833) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide
PubChem CID159986833
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide
SMILESCC/N=C(\N)c1ccc(Oc2ccc3c(c2)CCCC3CCN)nc1
InChIInChI=1S/C20H26N4O/c1-2-23-20(22)16-6-9-19(24-13-16)25-17-7-8-18-14(10-11-21)4-3-5-15(18)12-17/h6-9,12-14H,2-5,10-11,21H2,1H3,(H2,22,23)
InChIKeyOGLFECPXDFUKJU-UHFFFAOYSA-N
XLogP3.37
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673417
6-[[1-[cyclopropyl(methyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673731
6-[[1-(cyclopentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673676
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 11211889
6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673374
6-[[1-(2-methylbutylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673614
6-[[1-[(2,3-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 11188152
2-[(5-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-6-methylpyridine
CID 144986919
6-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 59730015
6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673474
ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide?
The IUPAC name of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide (CID 159986833) is 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide.
What is the SMILES notation for 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide?
The canonical SMILES for 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide is CC/N=C(\N)c1ccc(Oc2ccc3c(c2)CCCC3CCN)nc1.
What is the InChIKey of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide?
The InChIKey is OGLFECPXDFUKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-23-20(22)16-6-9-19(24-13-16)25-17-7-8-18-14(10-11-21)4-3-5-15(18)12-17/h6-9,12-14H,2-5,10-11,21H2,1H3,(H2,22,23).
What are the key properties of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide?
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide has a molecular weight of 338.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide is sourced from PubChem (CID 159986833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).