ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate

C10H22N2O2 — CID 64663599

IUPACethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
SMILESCCOC(=O)C(CC)N(C)CCNC
InChIInChI=1S/C10H22N2O2/c1-5-9(10(13)14-6-2)12(4)8-7-11-3/h9,11H,5-8H2,1-4H3
InChIKeyPWFKLTYKAFHKRP-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.48
Rot. Bonds7

About ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate

ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate (PubChem CID 64663599) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
PubChem CID64663599
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
SMILESCCOC(=O)C(CC)N(C)CCNC
InChIInChI=1S/C10H22N2O2/c1-5-9(10(13)14-6-2)12(4)8-7-11-3/h9,11H,5-8H2,1-4H3
InChIKeyPWFKLTYKAFHKRP-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate?
The IUPAC name of ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate (CID 64663599) is ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate.
What is the SMILES notation for ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate?
The canonical SMILES for ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate is CCOC(=O)C(CC)N(C)CCNC.
What is the InChIKey of ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate?
The InChIKey is PWFKLTYKAFHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-9(10(13)14-6-2)12(4)8-7-11-3/h9,11H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate?
ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate has a molecular weight of 202.30 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate is sourced from PubChem (CID 64663599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).