N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide

C6H11N3 — CID 123635945

IUPACN'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide
SMILESC=C/N=C(\C)N/N=C/C
InChIInChI=1S/C6H11N3/c1-4-7-6(3)9-8-5-2/h4-5H,1H2,2-3H3,(H,7,9)/b8-5+
InChIKeyLBHXNZAFTQDLBF-VMPITWQZSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds2

About N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide

N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide (PubChem CID 123635945) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide
PubChem CID123635945
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide
SMILESC=C/N=C(\C)N/N=C/C
InChIInChI=1S/C6H11N3/c1-4-7-6(3)9-8-5-2/h4-5H,1H2,2-3H3,(H,7,9)/b8-5+
InChIKeyLBHXNZAFTQDLBF-VMPITWQZSA-N
XLogP1.14
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.14
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide?
The IUPAC name of N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide (CID 123635945) is N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide.
What is the SMILES notation for N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide?
The canonical SMILES for N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide is C=C/N=C(\C)N/N=C/C.
What is the InChIKey of N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide?
The InChIKey is LBHXNZAFTQDLBF-VMPITWQZSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-7-6(3)9-8-5-2/h4-5H,1H2,2-3H3,(H,7,9)/b8-5+.
What are the key properties of N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide?
N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[(E)-ethylideneamino]ethanimidamide is sourced from PubChem (CID 123635945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).