3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide

C12H19N3O2 — CID 112587792

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1OCCOC(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-7-6-16-10-8-15-5-4-9(10)11(13)14/h4-5,8H,6-7H2,1-3H3,(H3,13,14)
InChIKeyWPYFQNCPANDCGI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds5

About 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide (PubChem CID 112587792) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
PubChem CID112587792
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1OCCOC(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-7-6-16-10-8-15-5-4-9(10)11(13)14/h4-5,8H,6-7H2,1-3H3,(H3,13,14)
InChIKeyWPYFQNCPANDCGI-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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Related Compounds

N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 136925054
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
CID 112587765
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
CID 107712652
4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 62308690
2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033946
5,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridazine-4-carboximidamide
CID 112587803
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 102747205
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide (CID 112587792) is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1OCCOC(C)(C)C.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide?
The InChIKey is WPYFQNCPANDCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-7-6-16-10-8-15-5-4-9(10)11(13)14/h4-5,8H,6-7H2,1-3H3,(H3,13,14).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide?
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-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 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 112587792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).