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

C14H27NO2 — CID 56963173

IUPAC2-(dimethylamino)ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCN(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(16)17-13-12-15(2)3/h10-11H,4-9,12-13H2,1-3H3/b11-10+
InChIKeyUQWDLYRTILEVJZ-ZHACJKMWSA-N
MW241.37 g/mol
LogP3.01
Rot. Bonds10

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

2-(dimethylamino)ethyl (E)-dec-2-enoate (PubChem CID 56963173) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (E)-dec-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (E)-dec-2-enoate
PubChem CID56963173
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(dimethylamino)ethyl (E)-dec-2-enoate
SMILESCCCCCCC/C=C/C(=O)OCCN(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(16)17-13-12-15(2)3/h10-11H,4-9,12-13H2,1-3H3/b11-10+
InChIKeyUQWDLYRTILEVJZ-ZHACJKMWSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.01
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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Related Compounds

2-Hexenoylcholine
CID 22155829
2-Dimethylaminoethyl docosahexaenoate
CID 54390294
2-(dimethylamino)ethyl (E)-10-hydroxydec-2-enoate
CID 10199028
2-(dimethylamino)ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
CID 22123402
2-Hex-2-enoyloxyethyl(trimethyl)azanium
CID 53794420
N,N,N-Trimethyl-2-[(pent-2-enoyl)oxy]ethan-1-aminium
CID 53885747
2-Docosa-2,4,6,8,10,12-hexaenoyloxyethyl(trimethyl)azanium
CID 54299321
2-Morpholin-4-ylethyl hex-2-enoate
CID 54451512
2-(Dimethylamino)ethyl 2-methylhenicos-2-enoate
CID 57184118
(E)-2-(diethylamino)ethyl dec-2-enoate
CID 57331679
(E)-3-(Dimethylamino)propyl dec-2-enoate
CID 57331680
(E)-1-(dimethylamino)propan-2-yl dec-2-enoate
CID 57331681

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (E)-dec-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl (E)-dec-2-enoate (CID 56963173) is 2-(dimethylamino)ethyl (E)-dec-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (E)-dec-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl (E)-dec-2-enoate is CCCCCCC/C=C/C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl (E)-dec-2-enoate?
The InChIKey is UQWDLYRTILEVJZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(16)17-13-12-15(2)3/h10-11H,4-9,12-13H2,1-3H3/b11-10+.
What are the key properties of 2-(dimethylamino)ethyl (E)-dec-2-enoate?
2-(dimethylamino)ethyl (E)-dec-2-enoate has a molecular weight of 241.37 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (E)-dec-2-enoate is sourced from PubChem (CID 56963173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).