N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide

C13H19N3 — CID 138526038

IUPACN'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide
SMILESC/C(N)=N\C=C/c1cccc(C(C)(C)C)n1
InChIInChI=1S/C13H19N3/c1-10(14)15-9-8-11-6-5-7-12(16-11)13(2,3)4/h5-9H,1-4H3,(H2,14,15)/b9-8-
InChIKeySKKYDYMIMGFORW-HJWRWDBZSA-N
MW217.32 g/mol
LogP2.73
Rot. Bonds2

About N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide

N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide (PubChem CID 138526038) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide
PubChem CID138526038
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide
SMILESC/C(N)=N\C=C/c1cccc(C(C)(C)C)n1
InChIInChI=1S/C13H19N3/c1-10(14)15-9-8-11-6-5-7-12(16-11)13(2,3)4/h5-9H,1-4H3,(H2,14,15)/b9-8-
InChIKeySKKYDYMIMGFORW-HJWRWDBZSA-N
XLogP2.73
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide?
The IUPAC name of N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide (CID 138526038) is N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide is C/C(N)=N\C=C/c1cccc(C(C)(C)C)n1.
What is the InChIKey of N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide?
The InChIKey is SKKYDYMIMGFORW-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(14)15-9-8-11-6-5-7-12(16-11)13(2,3)4/h5-9H,1-4H3,(H2,14,15)/b9-8-.
What are the key properties of N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide?
N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide has a molecular weight of 217.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-(6-tert-butyl-2-pyridinyl)ethenyl]ethanimidamide is sourced from PubChem (CID 138526038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).