ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate

C12H24N2O3 — CID 54895186

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(NCCN(C)C)C1CCOC1
InChIInChI=1S/C12H24N2O3/c1-4-17-12(15)11(10-5-8-16-9-10)13-6-7-14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyNFEBCOXRKXPORF-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.11
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate

ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate (PubChem CID 54895186) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
PubChem CID54895186
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(NCCN(C)C)C1CCOC1
InChIInChI=1S/C12H24N2O3/c1-4-17-12(15)11(10-5-8-16-9-10)13-6-7-14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyNFEBCOXRKXPORF-UHFFFAOYSA-N
XLogP0.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
CID 107133046
2-[2-(diethylamino)ethylamino]-2-(oxolan-3-yl)acetamide
CID 61005294
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505
methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
CID 63742191
ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
CID 65235685
ethyl 2-(4-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890681
3-ethoxy-3-oxo-2-(oxolan-3-yl)propanoic acid
CID 103973494
methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
CID 117238102
ethyl 2-formamido-2-(oxan-4-yl)acetate
CID 86612132
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate (CID 54895186) is ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate is CCOC(=O)C(NCCN(C)C)C1CCOC1.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate?
The InChIKey is NFEBCOXRKXPORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-17-12(15)11(10-5-8-16-9-10)13-6-7-14(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate has a molecular weight of 244.33 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 54895186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).