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

C₂₀H₂₆N₄O — CID 159986833

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 Name: 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide
• PubChem CID: 159986833
• Molecular Formula: C₂₀H₂₆N₄O
• Molecular Weight: 338.46 g/mol
• Exact Mass: 338.21
• IUPAC Name: 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide
• SMILES: CC/N=C(\N)c1ccc(Oc2ccc3c(c2)CCCC3CCN)nc1
• InChI: 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)
• InChIKey: OGLFECPXDFUKJU-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 86.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.46
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 159986833 — identifiers, structure, computed properties (public domain)

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