3-(diethylamino)propyl 2-methylpropanoate

C11H23NO2 — CID 58333619

IUPAC3-(diethylamino)propyl 2-methylpropanoate
SMILESCCN(CC)CCCOC(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-5-12(6-2)8-7-9-14-11(13)10(3)4/h10H,5-9H2,1-4H3
InChIKeyCOIPGTMMAVQZGA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds7

About 3-(diethylamino)propyl 2-methylpropanoate

3-(diethylamino)propyl 2-methylpropanoate (PubChem CID 58333619) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(diethylamino)propyl 2-methylpropanoate.

Molecular Properties

Compound Name3-(diethylamino)propyl 2-methylpropanoate
PubChem CID58333619
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(diethylamino)propyl 2-methylpropanoate
SMILESCCN(CC)CCCOC(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-5-12(6-2)8-7-9-14-11(13)10(3)4/h10H,5-9H2,1-4H3
InChIKeyCOIPGTMMAVQZGA-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis[3-(diethylamino)propyl] carbonate
CID 18944359
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
bis[4-(diethylamino)butyl] propanedioate
CID 156562858
3-(diethylamino)propyl 2-methylbut-2-enoate
CID 150789406
3-aminopropyl 2-methylpropanoate
CID 59078098
bis[6-(diethylamino)hexyl] carbonate;hydrate;dihydrochloride
CID 173301568
3-(diethylamino)propyl octadecanoate
CID 139896219
2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
CID 159728832
3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
CID 134486156
6-methoxyhexyl 2-methylpropanoate
CID 135199835

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl 2-methylpropanoate?
The IUPAC name of 3-(diethylamino)propyl 2-methylpropanoate (CID 58333619) is 3-(diethylamino)propyl 2-methylpropanoate.
What is the SMILES notation for 3-(diethylamino)propyl 2-methylpropanoate?
The canonical SMILES for 3-(diethylamino)propyl 2-methylpropanoate is CCN(CC)CCCOC(=O)C(C)C.
What is the InChIKey of 3-(diethylamino)propyl 2-methylpropanoate?
The InChIKey is COIPGTMMAVQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-12(6-2)8-7-9-14-11(13)10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 3-(diethylamino)propyl 2-methylpropanoate?
3-(diethylamino)propyl 2-methylpropanoate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propyl 2-methylpropanoate is sourced from PubChem (CID 58333619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).