2-aminoethyl 2-(ethylideneamino)acetate

C6H12N2O2 — CID 91264686

IUPAC2-aminoethyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OCCN
InChIInChI=1S/C6H12N2O2/c1-2-8-5-6(9)10-4-3-7/h2H,3-5,7H2,1H3/b8-2+
InChIKeyDGCYHQBETMRTHU-KRXBUXKQSA-N
MW144.17 g/mol
LogP-0.42
Rot. Bonds4

About 2-aminoethyl 2-(ethylideneamino)acetate

2-aminoethyl 2-(ethylideneamino)acetate (PubChem CID 91264686) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-aminoethyl 2-(ethylideneamino)acetate.

Molecular Properties

Compound Name2-aminoethyl 2-(ethylideneamino)acetate
PubChem CID91264686
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-aminoethyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OCCN
InChIInChI=1S/C6H12N2O2/c1-2-8-5-6(9)10-4-3-7/h2H,3-5,7H2,1H3/b8-2+
InChIKeyDGCYHQBETMRTHU-KRXBUXKQSA-N
XLogP-0.42
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(ethylideneamino)acetate
CID 54433510
3-Methyliminopropyl 2-aminoacetate
CID 126663277
2-(Ethylideneamino)ethyl acetate;methanimine;vanadium
CID 145312862
2-Aminoethyl 2-(propan-2-ylideneamino)acetate
CID 161042319
(2-Ethoxy-2-oxoethyl)-ethylideneazanium
CID 177019646
2-(Ethylideneamino)ethyl acetate
CID 145312863

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-(ethylideneamino)acetate?
The IUPAC name of 2-aminoethyl 2-(ethylideneamino)acetate (CID 91264686) is 2-aminoethyl 2-(ethylideneamino)acetate.
What is the SMILES notation for 2-aminoethyl 2-(ethylideneamino)acetate?
The canonical SMILES for 2-aminoethyl 2-(ethylideneamino)acetate is C/C=N/CC(=O)OCCN.
What is the InChIKey of 2-aminoethyl 2-(ethylideneamino)acetate?
The InChIKey is DGCYHQBETMRTHU-KRXBUXKQSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-8-5-6(9)10-4-3-7/h2H,3-5,7H2,1H3/b8-2+.
What are the key properties of 2-aminoethyl 2-(ethylideneamino)acetate?
2-aminoethyl 2-(ethylideneamino)acetate has a molecular weight of 144.17 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-(ethylideneamino)acetate is sourced from PubChem (CID 91264686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).