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

C11H22N2O2 — CID 88564742

IUPACpropyl 3-[2-(dimethylamino)ethylimino]butanoate
SMILESCCCOC(=O)C/C(C)=N/CCN(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-15-11(14)9-10(2)12-6-7-13(3)4/h5-9H2,1-4H3/b12-10+
InChIKeyMTMKJHWOAOYQTD-ZRDIBKRKSA-N
MW214.31 g/mol
LogP1.35
Rot. Bonds7

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

propyl 3-[2-(dimethylamino)ethylimino]butanoate (PubChem CID 88564742) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is propyl 3-[2-(dimethylamino)ethylimino]butanoate.

Molecular Properties

Compound Namepropyl 3-[2-(dimethylamino)ethylimino]butanoate
PubChem CID88564742
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepropyl 3-[2-(dimethylamino)ethylimino]butanoate
SMILESCCCOC(=O)C/C(C)=N/CCN(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-15-11(14)9-10(2)12-6-7-13(3)4/h5-9H2,1-4H3/b12-10+
InChIKeyMTMKJHWOAOYQTD-ZRDIBKRKSA-N
XLogP1.35
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.35
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 propyl 3-[2-(dimethylamino)ethylimino]butanoate?
The IUPAC name of propyl 3-[2-(dimethylamino)ethylimino]butanoate (CID 88564742) is propyl 3-[2-(dimethylamino)ethylimino]butanoate.
What is the SMILES notation for propyl 3-[2-(dimethylamino)ethylimino]butanoate?
The canonical SMILES for propyl 3-[2-(dimethylamino)ethylimino]butanoate is CCCOC(=O)C/C(C)=N/CCN(C)C.
What is the InChIKey of propyl 3-[2-(dimethylamino)ethylimino]butanoate?
The InChIKey is MTMKJHWOAOYQTD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-8-15-11(14)9-10(2)12-6-7-13(3)4/h5-9H2,1-4H3/b12-10+.
What are the key properties of propyl 3-[2-(dimethylamino)ethylimino]butanoate?
propyl 3-[2-(dimethylamino)ethylimino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[2-(dimethylamino)ethylimino]butanoate is sourced from PubChem (CID 88564742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).