2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide

C7H14N4 — CID 89016563

IUPAC2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide
SMILESC/C=N/C(=N\CC)/C(N)=N/C
InChIInChI=1S/C7H14N4/c1-4-10-7(11-5-2)6(8)9-3/h4H,5H2,1-3H3,(H2,8,9)/b10-4+,11-7-
InChIKeySDBHASYMIWRJTK-FJTWHMNQSA-N
MW154.22 g/mol
LogP0.48
Rot. Bonds1

About 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide

2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide (PubChem CID 89016563) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide.

Molecular Properties

Compound Name2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide
PubChem CID89016563
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide
SMILESC/C=N/C(=N\CC)/C(N)=N/C
InChIInChI=1S/C7H14N4/c1-4-10-7(11-5-2)6(8)9-3/h4H,5H2,1-3H3,(H2,8,9)/b10-4+,11-7-
InChIKeySDBHASYMIWRJTK-FJTWHMNQSA-N
XLogP0.48
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.48
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 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide?
The IUPAC name of 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide (CID 89016563) is 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide.
What is the SMILES notation for 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide?
The canonical SMILES for 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide is C/C=N/C(=N\CC)/C(N)=N/C.
What is the InChIKey of 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide?
The InChIKey is SDBHASYMIWRJTK-FJTWHMNQSA-N. The full InChI is InChI=1S/C7H14N4/c1-4-10-7(11-5-2)6(8)9-3/h4H,5H2,1-3H3,(H2,8,9)/b10-4+,11-7-.
What are the key properties of 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide?
2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide has a molecular weight of 154.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-ethyl-2-N-ethylidene-1-N'-methylethanediimidamide is sourced from PubChem (CID 89016563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).