2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide

C11H25N3O3 — CID 158740305

IUPAC2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide
SMILESCC(=O)OCCN(C)C.CNC(=O)CN(C)C
InChIInChI=1S/C6H13NO2.C5H12N2O/c1-6(8)9-5-4-7(2)3;1-6-5(8)4-7(2)3/h4-5H2,1-3H3;4H2,1-3H3,(H,6,8)
InChIKeyIMFBRMIVLSOUSJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.59
Rot. Bonds5

About 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide

2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide (PubChem CID 158740305) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide
PubChem CID158740305
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide
SMILESCC(=O)OCCN(C)C.CNC(=O)CN(C)C
InChIInChI=1S/C6H13NO2.C5H12N2O/c1-6(8)9-5-4-7(2)3;1-6-5(8)4-7(2)3/h4-5H2,1-3H3;4H2,1-3H3,(H,6,8)
InChIKeyIMFBRMIVLSOUSJ-UHFFFAOYSA-N
XLogP-0.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724267
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073
2-[3-(dimethylamino)propylsulfanyl]ethyl acetate
CID 165003519
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate
CID 174335600
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide?
The IUPAC name of 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide (CID 158740305) is 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide is CC(=O)OCCN(C)C.CNC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide?
The InChIKey is IMFBRMIVLSOUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H12N2O/c1-6(8)9-5-4-7(2)3;1-6-5(8)4-7(2)3/h4-5H2,1-3H3;4H2,1-3H3,(H,6,8).
What are the key properties of 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide?
2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide has a molecular weight of 247.34 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl acetate;2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 158740305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).