2-(1-aminoethylideneamino)ethyl acetate

C6H12N2O2 — CID 18952322

IUPAC2-(1-aminoethylideneamino)ethyl acetate
SMILESCC(=O)OCC/N=C(\C)N
InChIInChI=1S/C6H12N2O2/c1-5(7)8-3-4-10-6(2)9/h3-4H2,1-2H3,(H2,7,8)
InChIKeyONIZZXJGZBFPCE-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.07
Rot. Bonds3

About 2-(1-aminoethylideneamino)ethyl acetate

2-(1-aminoethylideneamino)ethyl acetate (PubChem CID 18952322) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)ethyl acetate.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)ethyl acetate
PubChem CID18952322
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-(1-aminoethylideneamino)ethyl acetate
SMILESCC(=O)OCC/N=C(\C)N
InChIInChI=1S/C6H12N2O2/c1-5(7)8-3-4-10-6(2)9/h3-4H2,1-2H3,(H2,7,8)
InChIKeyONIZZXJGZBFPCE-UHFFFAOYSA-N
XLogP-0.07
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1-aminoethylideneamino)ethyl acetate?
The IUPAC name of 2-(1-aminoethylideneamino)ethyl acetate (CID 18952322) is 2-(1-aminoethylideneamino)ethyl acetate.
What is the SMILES notation for 2-(1-aminoethylideneamino)ethyl acetate?
The canonical SMILES for 2-(1-aminoethylideneamino)ethyl acetate is CC(=O)OCC/N=C(\C)N.
What is the InChIKey of 2-(1-aminoethylideneamino)ethyl acetate?
The InChIKey is ONIZZXJGZBFPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(7)8-3-4-10-6(2)9/h3-4H2,1-2H3,(H2,7,8).
What are the key properties of 2-(1-aminoethylideneamino)ethyl acetate?
2-(1-aminoethylideneamino)ethyl acetate has a molecular weight of 144.17 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)ethyl acetate is sourced from PubChem (CID 18952322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).