ethyl 3-(dimethylamino)pentanoate

C9H19NO2 — CID 64541362

IUPACethyl 3-(dimethylamino)pentanoate
SMILESCCOC(=O)CC(CC)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(10(3)4)7-9(11)12-6-2/h8H,5-7H2,1-4H3
InChIKeyNFXUXNMFJLXHJT-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About ethyl 3-(dimethylamino)pentanoate

ethyl 3-(dimethylamino)pentanoate (PubChem CID 64541362) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)pentanoate
PubChem CID64541362
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 3-(dimethylamino)pentanoate
SMILESCCOC(=O)CC(CC)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(10(3)4)7-9(11)12-6-2/h8H,5-7H2,1-4H3
InChIKeyNFXUXNMFJLXHJT-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(dimethylamino)butanoate
CID 3020377
Dimethylaminopropyl butyrate
CID 129674158
3-(Dimethylamino)propyl pentanoate
CID 140164285
(3-Butoxy-3-oxopropyl)-trimethylazanium
CID 29658
Methyl 3-(diethylamino)butanoate
CID 118094
1-Butanol, 3-(dimethylamino)-, 1-acetate
CID 25155024
3-Butanoyloxypropyl(trimethyl)azanium
CID 102117266
2-(Dimethylamino)propyl pentanoate
CID 172879161
Trimethyl-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-2-yl]azanium
CID 60280
3-((Cyclobutanecarbonyloxy)-1-methylpropyl)dimethylammonium Oxalate
CID 25158667
Ethyl 3-(Diethylamino)butyric Acid Ester
CID 10679145
Ethyl 3-pyrrolidin-1-ylpentanoate
CID 12199775

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)pentanoate?
The IUPAC name of ethyl 3-(dimethylamino)pentanoate (CID 64541362) is ethyl 3-(dimethylamino)pentanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)pentanoate?
The canonical SMILES for ethyl 3-(dimethylamino)pentanoate is CCOC(=O)CC(CC)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)pentanoate?
The InChIKey is NFXUXNMFJLXHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(10(3)4)7-9(11)12-6-2/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(dimethylamino)pentanoate?
ethyl 3-(dimethylamino)pentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)pentanoate is sourced from PubChem (CID 64541362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).