(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide

C8H14N4 — CID 176523903

IUPAC(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide
SMILES[H]/N=C(C)/N=C(N)/C(C)=C(\C)N=C
InChIInChI=1S/C8H14N4/c1-5(6(2)11-4)8(10)12-7(3)9/h4H2,1-3H3,(H3,9,10,12)/b6-5+
InChIKeyXINHUDOVDXUKLV-AATRIKPKSA-N
MW166.23 g/mol
LogP1.34
Rot. Bonds2

About (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide

(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide (PubChem CID 176523903) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide
PubChem CID176523903
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide
SMILES[H]/N=C(C)/N=C(N)/C(C)=C(\C)N=C
InChIInChI=1S/C8H14N4/c1-5(6(2)11-4)8(10)12-7(3)9/h4H2,1-3H3,(H3,9,10,12)/b6-5+
InChIKeyXINHUDOVDXUKLV-AATRIKPKSA-N
XLogP1.34
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
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 (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide?
The IUPAC name of (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide (CID 176523903) is (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide.
What is the SMILES notation for (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide?
The canonical SMILES for (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide is [H]/N=C(C)/N=C(N)/C(C)=C(\C)N=C.
What is the InChIKey of (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide?
The InChIKey is XINHUDOVDXUKLV-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14N4/c1-5(6(2)11-4)8(10)12-7(3)9/h4H2,1-3H3,(H3,9,10,12)/b6-5+.
What are the key properties of (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide?
(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide is sourced from PubChem (CID 176523903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).