methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate

C10H16N2O3 — CID 62688268

IUPACmethyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN(C)CCN
InChIInChI=1S/C10H16N2O3/c1-12(5-4-11)7-8-3-6-15-9(8)10(13)14-2/h3,6H,4-5,7,11H2,1-2H3
InChIKeyBCLJZJIVMQIQJY-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.46
Rot. Bonds5

About methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate

methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate (PubChem CID 62688268) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
PubChem CID62688268
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN(C)CCN
InChIInChI=1S/C10H16N2O3/c1-12(5-4-11)7-8-3-6-15-9(8)10(13)14-2/h3,6H,4-5,7,11H2,1-2H3
InChIKeyBCLJZJIVMQIQJY-UHFFFAOYSA-N
XLogP0.46
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate (CID 62688268) is methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CN(C)CCN.
What is the InChIKey of methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate?
The InChIKey is BCLJZJIVMQIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12(5-4-11)7-8-3-6-15-9(8)10(13)14-2/h3,6H,4-5,7,11H2,1-2H3.
What are the key properties of methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate?
methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 62688268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).