ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate

C13H28N2O2 — CID 103189712

IUPACethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
SMILESCCOC(=O)C(CC)N(CC)C(C)CN(C)C
InChIInChI=1S/C13H28N2O2/c1-7-12(13(16)17-9-3)15(8-2)11(4)10-14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyYHAJTNRMMOEZGD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.60
Rot. Bonds8

About ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate

ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate (PubChem CID 103189712) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
PubChem CID103189712
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
SMILESCCOC(=O)C(CC)N(CC)C(C)CN(C)C
InChIInChI=1S/C13H28N2O2/c1-7-12(13(16)17-9-3)15(8-2)11(4)10-14(5)6/h11-12H,7-10H2,1-6H3
InChIKeyYHAJTNRMMOEZGD-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

ethyl 2-[ethyl(propan-2-yl)amino]butanoate
CID 64663080
2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
CID 103189748
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 103189711
2-[1-(dimethylamino)propan-2-yl-ethylamino]propanamide
CID 103190759
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 112745824
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
ethyl 2-[2-cyanoethyl(propan-2-yl)amino]butanoate
CID 64660525
ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
CID 115665703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate?
The IUPAC name of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate (CID 103189712) is ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate.
What is the SMILES notation for ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate?
The canonical SMILES for ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate is CCOC(=O)C(CC)N(CC)C(C)CN(C)C.
What is the InChIKey of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate?
The InChIKey is YHAJTNRMMOEZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-12(13(16)17-9-3)15(8-2)11(4)10-14(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate?
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate is sourced from PubChem (CID 103189712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).