ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate

C11H24N2O2 — CID 62636773

IUPACethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
SMILESCCOC(=O)CC(C)NCCN(C)CC
InChIInChI=1S/C11H24N2O2/c1-5-13(4)8-7-12-10(3)9-11(14)15-6-2/h10,12H,5-9H2,1-4H3
InChIKeyVBCWIATXFQURSQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.87
Rot. Bonds8

About ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate

ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate (PubChem CID 62636773) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
PubChem CID62636773
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate
SMILESCCOC(=O)CC(C)NCCN(C)CC
InChIInChI=1S/C11H24N2O2/c1-5-13(4)8-7-12-10(3)9-11(14)15-6-2/h10,12H,5-9H2,1-4H3
InChIKeyVBCWIATXFQURSQ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 3-[3-(2-hydroxyethoxy)propylamino]butanoate
CID 106305458
ethyl 2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoacetate
CID 62635568
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
3-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62641386
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl 3-(2-cyclohexyloxyethylamino)butanoate
CID 63828571
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate?
The IUPAC name of ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate (CID 62636773) is ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate.
What is the SMILES notation for ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate?
The canonical SMILES for ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate is CCOC(=O)CC(C)NCCN(C)CC.
What is the InChIKey of ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate?
The InChIKey is VBCWIATXFQURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-13(4)8-7-12-10(3)9-11(14)15-6-2/h10,12H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate?
ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate has a molecular weight of 216.32 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[ethyl(methyl)amino]ethylamino]butanoate is sourced from PubChem (CID 62636773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).