ethyl 3-[2-(dimethylamino)ethylimino]butanoate

C10H20N2O2 — CID 88564741

IUPACethyl 3-[2-(dimethylamino)ethylimino]butanoate
SMILESCCOC(=O)C/C(C)=N/CCN(C)C
InChIInChI=1S/C10H20N2O2/c1-5-14-10(13)8-9(2)11-6-7-12(3)4/h5-8H2,1-4H3/b11-9+
InChIKeyZLMJCGVUAXRBLS-PKNBQFBNSA-N
MW200.28 g/mol
LogP0.96
Rot. Bonds6

About ethyl 3-[2-(dimethylamino)ethylimino]butanoate

ethyl 3-[2-(dimethylamino)ethylimino]butanoate (PubChem CID 88564741) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)ethylimino]butanoate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)ethylimino]butanoate
PubChem CID88564741
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 3-[2-(dimethylamino)ethylimino]butanoate
SMILESCCOC(=O)C/C(C)=N/CCN(C)C
InChIInChI=1S/C10H20N2O2/c1-5-14-10(13)8-9(2)11-6-7-12(3)4/h5-8H2,1-4H3/b11-9+
InChIKeyZLMJCGVUAXRBLS-PKNBQFBNSA-N
XLogP0.96
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylamino)ethylimino]butanoate?
The IUPAC name of ethyl 3-[2-(dimethylamino)ethylimino]butanoate (CID 88564741) is ethyl 3-[2-(dimethylamino)ethylimino]butanoate.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)ethylimino]butanoate?
The canonical SMILES for ethyl 3-[2-(dimethylamino)ethylimino]butanoate is CCOC(=O)C/C(C)=N/CCN(C)C.
What is the InChIKey of ethyl 3-[2-(dimethylamino)ethylimino]butanoate?
The InChIKey is ZLMJCGVUAXRBLS-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-14-10(13)8-9(2)11-6-7-12(3)4/h5-8H2,1-4H3/b11-9+.
What are the key properties of ethyl 3-[2-(dimethylamino)ethylimino]butanoate?
ethyl 3-[2-(dimethylamino)ethylimino]butanoate has a molecular weight of 200.28 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)ethylimino]butanoate is sourced from PubChem (CID 88564741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).