ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate

C13H27NO3 — CID 64541817

IUPACethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate
SMILESCCOC(=O)CC(CC)(COC)N(CC)CC
InChIInChI=1S/C13H27NO3/c1-6-13(11-16-5,14(7-2)8-3)10-12(15)17-9-4/h6-11H2,1-5H3
InChIKeyYCZZMSLVFVNHHZ-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.08
Rot. Bonds9

About ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate

ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate (PubChem CID 64541817) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate
PubChem CID64541817
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate
SMILESCCOC(=O)CC(CC)(COC)N(CC)CC
InChIInChI=1S/C13H27NO3/c1-6-13(11-16-5,14(7-2)8-3)10-12(15)17-9-4/h6-11H2,1-5H3
InChIKeyYCZZMSLVFVNHHZ-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate?
The IUPAC name of ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate (CID 64541817) is ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate.
What is the SMILES notation for ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate?
The canonical SMILES for ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate is CCOC(=O)CC(CC)(COC)N(CC)CC.
What is the InChIKey of ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate?
The InChIKey is YCZZMSLVFVNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-6-13(11-16-5,14(7-2)8-3)10-12(15)17-9-4/h6-11H2,1-5H3.
What are the key properties of ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate?
ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate has a molecular weight of 245.36 g/mol, XLogP of 2.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethylamino)-3-(methoxymethyl)pentanoate is sourced from PubChem (CID 64541817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).