2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide

C10H15N3O — CID 83878395

IUPAC2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cncc(OC(C)C)c1
InChIInChI=1S/C10H15N3O/c1-7(2)14-9-3-8(4-10(11)12)5-13-6-9/h3,5-7H,4H2,1-2H3,(H3,11,12)
InChIKeyFTCJPEKJZZBIIE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds4

About 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide

2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide (PubChem CID 83878395) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide.

Molecular Properties

Compound Name2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide
PubChem CID83878395
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cncc(OC(C)C)c1
InChIInChI=1S/C10H15N3O/c1-7(2)14-9-3-8(4-10(11)12)5-13-6-9/h3,5-7H,4H2,1-2H3,(H3,11,12)
InChIKeyFTCJPEKJZZBIIE-UHFFFAOYSA-N
XLogP1.35
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide?
The IUPAC name of 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide (CID 83878395) is 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide.
What is the SMILES notation for 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide?
The canonical SMILES for 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide is [H]/N=C(\N)Cc1cncc(OC(C)C)c1.
What is the InChIKey of 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide?
The InChIKey is FTCJPEKJZZBIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)14-9-3-8(4-10(11)12)5-13-6-9/h3,5-7H,4H2,1-2H3,(H3,11,12).
What are the key properties of 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide?
2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide has a molecular weight of 193.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yloxy-3-pyridinyl)ethanimidamide is sourced from PubChem (CID 83878395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).