4-(2-pyridin-2-ylethoxy)butanimidamide

C11H17N3O — CID 43128902

IUPAC4-(2-pyridin-2-ylethoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCCc1ccccn1
InChIInChI=1S/C11H17N3O/c12-11(13)5-3-8-15-9-6-10-4-1-2-7-14-10/h1-2,4,7H,3,5-6,8-9H2,(H3,12,13)
InChIKeyGRYSAZSPJPGYAO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.36
Rot. Bonds7

About 4-(2-pyridin-2-ylethoxy)butanimidamide

4-(2-pyridin-2-ylethoxy)butanimidamide (PubChem CID 43128902) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethoxy)butanimidamide.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethoxy)butanimidamide
PubChem CID43128902
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(2-pyridin-2-ylethoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCCc1ccccn1
InChIInChI=1S/C11H17N3O/c12-11(13)5-3-8-15-9-6-10-4-1-2-7-14-10/h1-2,4,7H,3,5-6,8-9H2,(H3,12,13)
InChIKeyGRYSAZSPJPGYAO-UHFFFAOYSA-N
XLogP1.36
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
CID 43368929
[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine
CID 43254444
3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
CID 103370979
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901
4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
CID 62030031
4-(2-ethoxyphenoxy)butanimidamide
CID 24698549
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethoxy)butanimidamide?
The IUPAC name of 4-(2-pyridin-2-ylethoxy)butanimidamide (CID 43128902) is 4-(2-pyridin-2-ylethoxy)butanimidamide.
What is the SMILES notation for 4-(2-pyridin-2-ylethoxy)butanimidamide?
The canonical SMILES for 4-(2-pyridin-2-ylethoxy)butanimidamide is [H]/N=C(\N)CCCOCCc1ccccn1.
What is the InChIKey of 4-(2-pyridin-2-ylethoxy)butanimidamide?
The InChIKey is GRYSAZSPJPGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11(13)5-3-8-15-9-6-10-4-1-2-7-14-10/h1-2,4,7H,3,5-6,8-9H2,(H3,12,13).
What are the key properties of 4-(2-pyridin-2-ylethoxy)butanimidamide?
4-(2-pyridin-2-ylethoxy)butanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethoxy)butanimidamide is sourced from PubChem (CID 43128902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).