[2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate

C13H28N2O3 — CID 169192127

IUPAC[2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate
SMILESCCOCCN(C)CC(=O)OCC(C)(C)N(C)C
InChIInChI=1S/C13H28N2O3/c1-7-17-9-8-15(6)10-12(16)18-11-13(2,3)14(4)5/h7-11H2,1-6H3
InChIKeyREQQHLQSYOOLBU-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.84
Rot. Bonds9

About [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate

[2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate (PubChem CID 169192127) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate
PubChem CID169192127
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name[2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate
SMILESCCOCCN(C)CC(=O)OCC(C)(C)N(C)C
InChIInChI=1S/C13H28N2O3/c1-7-17-9-8-15(6)10-12(16)18-11-13(2,3)14(4)5/h7-11H2,1-6H3
InChIKeyREQQHLQSYOOLBU-UHFFFAOYSA-N
XLogP0.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Glycine, N,N-diethyl-, ethyl ester
CID 75843
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
Glycine, N,N-dibutyl-, ethyl ester
CID 17537
Glycine, N,N-diisobutyl-, ethyl ester
CID 17538
Ethyl 2-(tert-butylamino)acetate
CID 2777441
Ethyl 2-{[2-(dimethylamino)ethyl](methyl)amino}acetate
CID 62013715
Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate
CID 762955
ethyl N,N,2-trimethylalaninate
CID 12695436
Carbethoxymethyl-triethylammonium bromide
CID 3026436
Glycine, N,N-bis(2-ethoxyethyl)-, ethyl ester
CID 24838487
Ethyl 2-(dipropylamino)acetate
CID 575237
Ethyl 2-(tert-butyl(2-cyanoethyl)amino)acetate
CID 45792313

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate?
The IUPAC name of [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate (CID 169192127) is [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate.
What is the SMILES notation for [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate?
The canonical SMILES for [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate is CCOCCN(C)CC(=O)OCC(C)(C)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate?
The InChIKey is REQQHLQSYOOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-7-17-9-8-15(6)10-12(16)18-11-13(2,3)14(4)5/h7-11H2,1-6H3.
What are the key properties of [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate?
[2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate has a molecular weight of 260.38 g/mol, XLogP of 0.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate is sourced from PubChem (CID 169192127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).