6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide

C12H19N3O2 — CID 112587765

IUPAC6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCOC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-8-7-16-10-6-4-5-9(15-10)11(13)14/h4-6H,7-8H2,1-3H3,(H3,13,14)
InChIKeyXZXUCKGBWBVWDY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds5

About 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide (PubChem CID 112587765) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
PubChem CID112587765
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(OCCOC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-8-7-16-10-6-4-5-9(15-10)11(13)14/h4-6H,7-8H2,1-3H3,(H3,13,14)
InChIKeyXZXUCKGBWBVWDY-UHFFFAOYSA-N
XLogP1.56
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide?
The IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide (CID 112587765) is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide?
The canonical SMILES for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(OCCOC(C)(C)C)n1.
What is the InChIKey of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide?
The InChIKey is XZXUCKGBWBVWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-8-7-16-10-6-4-5-9(15-10)11(13)14/h4-6H,7-8H2,1-3H3,(H3,13,14).
What are the key properties of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide?
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide has a molecular weight of 237.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide is sourced from PubChem (CID 112587765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).