tert-butyl 2-[2-(dimethylamino)ethylamino]acetate

C10H22N2O2 — CID 47002972

IUPACtert-butyl 2-[2-(dimethylamino)ethylamino]acetate
SMILESCN(C)CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8-11-6-7-12(4)5/h11H,6-8H2,1-5H3
InChIKeyRPDAHRHFTMTASL-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.48
Rot. Bonds5

About tert-butyl 2-[2-(dimethylamino)ethylamino]acetate

tert-butyl 2-[2-(dimethylamino)ethylamino]acetate (PubChem CID 47002972) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl 2-[2-(dimethylamino)ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(dimethylamino)ethylamino]acetate
PubChem CID47002972
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl 2-[2-(dimethylamino)ethylamino]acetate
SMILESCN(C)CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8-11-6-7-12(4)5/h11H,6-8H2,1-5H3
InChIKeyRPDAHRHFTMTASL-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(dimethylamino)ethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-(dimethylamino)ethylamino]acetate (CID 47002972) is tert-butyl 2-[2-(dimethylamino)ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(dimethylamino)ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-(dimethylamino)ethylamino]acetate is CN(C)CCNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(dimethylamino)ethylamino]acetate?
The InChIKey is RPDAHRHFTMTASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)8-11-6-7-12(4)5/h11H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-[2-(dimethylamino)ethylamino]acetate?
tert-butyl 2-[2-(dimethylamino)ethylamino]acetate has a molecular weight of 202.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(dimethylamino)ethylamino]acetate is sourced from PubChem (CID 47002972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).