ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate

C9H20N2O2 — CID 62013715

IUPACethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCN(C)C
InChIInChI=1S/C9H20N2O2/c1-5-13-9(12)8-11(4)7-6-10(2)3/h5-8H2,1-4H3
InChIKeyVHSXHYXOOAZVPA-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.04
Rot. Bonds6

About ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate

ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate (PubChem CID 62013715) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate
PubChem CID62013715
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCN(C)C
InChIInChI=1S/C9H20N2O2/c1-5-13-9(12)8-11(4)7-6-10(2)3/h5-8H2,1-4H3
InChIKeyVHSXHYXOOAZVPA-UHFFFAOYSA-N
XLogP0.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate (CID 62013715) is ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate is CCOC(=O)CN(C)CCN(C)C.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate?
The InChIKey is VHSXHYXOOAZVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-13-9(12)8-11(4)7-6-10(2)3/h5-8H2,1-4H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate?
ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate has a molecular weight of 188.27 g/mol, XLogP of 0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethyl-methylamino]acetate is sourced from PubChem (CID 62013715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).