3-(diethylamino)propyl 2-methylbut-2-enoate

C12H23NO2 — CID 150789406

IUPAC3-(diethylamino)propyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCCN(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-11(4)12(14)15-10-8-9-13(6-2)7-3/h5H,6-10H2,1-4H3
InChIKeyKDNKFLSZDRTUBB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.23
Rot. Bonds7

About 3-(diethylamino)propyl 2-methylbut-2-enoate

3-(diethylamino)propyl 2-methylbut-2-enoate (PubChem CID 150789406) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(diethylamino)propyl 2-methylbut-2-enoate.

Molecular Properties

Compound Name3-(diethylamino)propyl 2-methylbut-2-enoate
PubChem CID150789406
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(diethylamino)propyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCCN(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-11(4)12(14)15-10-8-9-13(6-2)7-3/h5H,6-10H2,1-4H3
InChIKeyKDNKFLSZDRTUBB-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.23
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

bis[3-(diethylamino)propyl] carbonate
CID 18944359
undecyl (E)-2-methylbut-2-enoate
CID 91701896
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
3-(diethylamino)propyl 2-methylpropanoate
CID 58333619
azane;3-hydroxypropyl 2-methylbut-2-enoate;hydrochloride
CID 173093194
3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 87217880
[(E)-non-5-enyl] (E)-2-methylbut-2-enoate
CID 102116658
[(E)-oct-5-enyl] (E)-2-methylbut-2-enoate
CID 102116652
2-(diethylamino)ethyl 2-methylhexa-2,5-dienoate
CID 173337637
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
5-(diethylamino)pentyl (E)-but-2-enoate
CID 87067527
3-[2-[bis[3-(2-oxobutanoyloxy)propyl]amino]ethyl-[3-(2-oxobutanoyloxy)propyl]amino]propyl 2-oxobutanoate
CID 57156949

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propyl 2-methylbut-2-enoate?
The IUPAC name of 3-(diethylamino)propyl 2-methylbut-2-enoate (CID 150789406) is 3-(diethylamino)propyl 2-methylbut-2-enoate.
What is the SMILES notation for 3-(diethylamino)propyl 2-methylbut-2-enoate?
The canonical SMILES for 3-(diethylamino)propyl 2-methylbut-2-enoate is CC=C(C)C(=O)OCCCN(CC)CC.
What is the InChIKey of 3-(diethylamino)propyl 2-methylbut-2-enoate?
The InChIKey is KDNKFLSZDRTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-11(4)12(14)15-10-8-9-13(6-2)7-3/h5H,6-10H2,1-4H3.
What are the key properties of 3-(diethylamino)propyl 2-methylbut-2-enoate?
3-(diethylamino)propyl 2-methylbut-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.23, 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-methylbut-2-enoate is sourced from PubChem (CID 150789406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).