2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide

C12H17N3O2 — CID 121003590

IUPAC2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide
SMILESN/C(COC1CCCCO1)=N\c1ccccn1
InChIInChI=1S/C12H17N3O2/c13-10(15-11-5-1-3-7-14-11)9-17-12-6-2-4-8-16-12/h1,3,5,7,12H,2,4,6,8-9H2,(H2,13,14,15)
InChIKeyJAYZWJHFLFUVSU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.61
Rot. Bonds4

About 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide

2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide (PubChem CID 121003590) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide.

Molecular Properties

Compound Name2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide
PubChem CID121003590
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide
SMILESN/C(COC1CCCCO1)=N\c1ccccn1
InChIInChI=1S/C12H17N3O2/c13-10(15-11-5-1-3-7-14-11)9-17-12-6-2-4-8-16-12/h1,3,5,7,12H,2,4,6,8-9H2,(H2,13,14,15)
InChIKeyJAYZWJHFLFUVSU-UHFFFAOYSA-N
XLogP1.61
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
CID 88623070
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
CID 18411494
2-(2-phenoxyethoxy)oxane
CID 11736193
pyridin-2-ylmethyl (E)-2-[2-(oxan-2-yloxy)ethyl]but-2-enoate
CID 11289718
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
2-(oxan-2-yloxy)-2-(pyridin-2-ylmethyl)propanedioic acid
CID 19075919

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide?
The IUPAC name of 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide (CID 121003590) is 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide.
What is the SMILES notation for 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide?
The canonical SMILES for 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide is N/C(COC1CCCCO1)=N\c1ccccn1.
What is the InChIKey of 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide?
The InChIKey is JAYZWJHFLFUVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10(15-11-5-1-3-7-14-11)9-17-12-6-2-4-8-16-12/h1,3,5,7,12H,2,4,6,8-9H2,(H2,13,14,15).
What are the key properties of 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide?
2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide has a molecular weight of 235.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide is sourced from PubChem (CID 121003590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).