ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate

C13H28N2O3 — CID 83041631

IUPACethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
SMILESCCCC(NCCN(C)CCOC)C(=O)OCC
InChIInChI=1S/C13H28N2O3/c1-5-7-12(13(16)18-6-2)14-8-9-15(3)10-11-17-4/h12,14H,5-11H2,1-4H3
InChIKeyFWJAMVIZDZISLT-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.89
Rot. Bonds11

About ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate

ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate (PubChem CID 83041631) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
PubChem CID83041631
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nameethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
SMILESCCCC(NCCN(C)CCOC)C(=O)OCC
InChIInChI=1S/C13H28N2O3/c1-5-7-12(13(16)18-6-2)14-8-9-15(3)10-11-17-4/h12,14H,5-11H2,1-4H3
InChIKeyFWJAMVIZDZISLT-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
CID 63055201
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
methyl 2-(propylamino)pentanoate
CID 60795873
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
CID 103249699
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]acetate
CID 62851170

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate?
The IUPAC name of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate (CID 83041631) is ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate.
What is the SMILES notation for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate?
The canonical SMILES for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate is CCCC(NCCN(C)CCOC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate?
The InChIKey is FWJAMVIZDZISLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-7-12(13(16)18-6-2)14-8-9-15(3)10-11-17-4/h12,14H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate?
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate has a molecular weight of 260.38 g/mol, XLogP of 0.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate is sourced from PubChem (CID 83041631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).