ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate

C11H23NO3 — CID 64539667

IUPACethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate
SMILESCCOC(=O)CC(C)(CCOC)N(C)C
InChIInChI=1S/C11H23NO3/c1-6-15-10(13)9-11(2,12(3)4)7-8-14-5/h6-9H2,1-5H3
InChIKeyRAZJNRQFFOAIMB-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.30
Rot. Bonds7

About ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate

ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate (PubChem CID 64539667) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate
PubChem CID64539667
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate
SMILESCCOC(=O)CC(C)(CCOC)N(C)C
InChIInChI=1S/C11H23NO3/c1-6-15-10(13)9-11(2,12(3)4)7-8-14-5/h6-9H2,1-5H3
InChIKeyRAZJNRQFFOAIMB-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate?
The IUPAC name of ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate (CID 64539667) is ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate is CCOC(=O)CC(C)(CCOC)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate?
The InChIKey is RAZJNRQFFOAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-15-10(13)9-11(2,12(3)4)7-8-14-5/h6-9H2,1-5H3.
What are the key properties of ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate?
ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-5-methoxy-3-methylpentanoate is sourced from PubChem (CID 64539667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).