N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide

C5H9N3 — CID 89029563

IUPACN'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide
SMILESC=N/C=C\N=C(/C)N
InChIInChI=1S/C5H9N3/c1-5(6)8-4-3-7-2/h3-4H,2H2,1H3,(H2,6,8)/b4-3-
InChIKeySSSPBVQZZDIKSZ-ARJAWSKDSA-N
MW111.15 g/mol
LogP0.54
Rot. Bonds2

About N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide

N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide (PubChem CID 89029563) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide
PubChem CID89029563
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide
SMILESC=N/C=C\N=C(/C)N
InChIInChI=1S/C5H9N3/c1-5(6)8-4-3-7-2/h3-4H,2H2,1H3,(H2,6,8)/b4-3-
InChIKeySSSPBVQZZDIKSZ-ARJAWSKDSA-N
XLogP0.54
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.54
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-(methylideneamino)ethenyl]ethanimidamide?
The IUPAC name of N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide (CID 89029563) is N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide is C=N/C=C\N=C(/C)N.
What is the InChIKey of N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide?
The InChIKey is SSSPBVQZZDIKSZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(6)8-4-3-7-2/h3-4H,2H2,1H3,(H2,6,8)/b4-3-.
What are the key properties of N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide?
N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide is sourced from PubChem (CID 89029563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).