ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate

C13H28N2O2 — CID 102994723

IUPACethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
SMILESCCOC(=O)C(CC)N(CC)CCCN(C)C
InChIInChI=1S/C13H28N2O2/c1-6-12(13(16)17-8-3)15(7-2)11-9-10-14(4)5/h12H,6-11H2,1-5H3
InChIKeyHGGAMEQDIAFHNC-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.60
Rot. Bonds9

About ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate

ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate (PubChem CID 102994723) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
PubChem CID102994723
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
SMILESCCOC(=O)C(CC)N(CC)CCCN(C)C
InChIInChI=1S/C13H28N2O2/c1-6-12(13(16)17-8-3)15(7-2)11-9-10-14(4)5/h12H,6-11H2,1-5H3
InChIKeyHGGAMEQDIAFHNC-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
ethyl (2S)-2,6-bis(dimethylamino)hexanoate
CID 22213734
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]butanoate
CID 64660529
(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate
CID 75468084
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol
CID 102996274
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
CID 103189712
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate?
The IUPAC name of ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate (CID 102994723) is ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate.
What is the SMILES notation for ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate?
The canonical SMILES for ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate is CCOC(=O)C(CC)N(CC)CCCN(C)C.
What is the InChIKey of ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate?
The InChIKey is HGGAMEQDIAFHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-12(13(16)17-8-3)15(7-2)11-9-10-14(4)5/h12H,6-11H2,1-5H3.
What are the key properties of ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate?
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate is sourced from PubChem (CID 102994723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).