(E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide

C8H14N4 — CID 176531141

IUPAC(E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide
SMILES[H]/N=C/NC(=N\C)/C(=C\C)/N=C/C
InChIInChI=1S/C8H14N4/c1-4-7(11-5-2)8(10-3)12-6-9/h4-6H,1-3H3,(H2,9,10,12)/b7-4+,11-5+
InChIKeyFQSPFKQDRHHKTD-CNAFAHAUSA-N
MW166.23 g/mol
LogP1.21
Rot. Bonds3

About (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide

(E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide (PubChem CID 176531141) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide
PubChem CID176531141
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide
SMILES[H]/N=C/NC(=N\C)/C(=C\C)/N=C/C
InChIInChI=1S/C8H14N4/c1-4-7(11-5-2)8(10-3)12-6-9/h4-6H,1-3H3,(H2,9,10,12)/b7-4+,11-5+
InChIKeyFQSPFKQDRHHKTD-CNAFAHAUSA-N
XLogP1.21
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.21
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 (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide?
The IUPAC name of (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide (CID 176531141) is (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide.
What is the SMILES notation for (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide?
The canonical SMILES for (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide is [H]/N=C/NC(=N\C)/C(=C\C)/N=C/C.
What is the InChIKey of (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide?
The InChIKey is FQSPFKQDRHHKTD-CNAFAHAUSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-7(11-5-2)8(10-3)12-6-9/h4-6H,1-3H3,(H2,9,10,12)/b7-4+,11-5+.
What are the key properties of (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide?
(E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide is sourced from PubChem (CID 176531141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).