2-(diethylamino)ethyl (E)-dec-2-enoate

C16H31NO2 — CID 57331679

IUPAC2-(diethylamino)ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCN(CC)CC
InChIInChI=1S/C16H31NO2/c1-4-7-8-9-10-11-12-13-16(18)19-15-14-17(5-2)6-3/h12-13H,4-11,14-15H2,1-3H3/b13-12+
InChIKeyREXNSDAMRDJJFI-OUKQBFOZSA-N
MW269.43 g/mol
LogP3.79
Rot. Bonds12

About 2-(diethylamino)ethyl (E)-dec-2-enoate

2-(diethylamino)ethyl (E)-dec-2-enoate (PubChem CID 57331679) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (E)-dec-2-enoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl (E)-dec-2-enoate
PubChem CID57331679
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-(diethylamino)ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCN(CC)CC
InChIInChI=1S/C16H31NO2/c1-4-7-8-9-10-11-12-13-16(18)19-15-14-17(5-2)6-3/h12-13H,4-11,14-15H2,1-3H3/b13-12+
InChIKeyREXNSDAMRDJJFI-OUKQBFOZSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl (E)-dec-2-enoate?
The IUPAC name of 2-(diethylamino)ethyl (E)-dec-2-enoate (CID 57331679) is 2-(diethylamino)ethyl (E)-dec-2-enoate.
What is the SMILES notation for 2-(diethylamino)ethyl (E)-dec-2-enoate?
The canonical SMILES for 2-(diethylamino)ethyl (E)-dec-2-enoate is CCCCCCC/C=C/C(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl (E)-dec-2-enoate?
The InChIKey is REXNSDAMRDJJFI-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-7-8-9-10-11-12-13-16(18)19-15-14-17(5-2)6-3/h12-13H,4-11,14-15H2,1-3H3/b13-12+.
What are the key properties of 2-(diethylamino)ethyl (E)-dec-2-enoate?
2-(diethylamino)ethyl (E)-dec-2-enoate has a molecular weight of 269.43 g/mol, XLogP of 3.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (E)-dec-2-enoate is sourced from PubChem (CID 57331679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).