ethyl 2-(diethylamino)-5-methylhex-4-enoate

C13H25NO2 — CID 23265794

IUPACethyl 2-(diethylamino)-5-methylhex-4-enoate
SMILESCCOC(=O)C(CC=C(C)C)N(CC)CC
InChIInChI=1S/C13H25NO2/c1-6-14(7-2)12(10-9-11(4)5)13(15)16-8-3/h9,12H,6-8,10H2,1-5H3
InChIKeyVZEFHDPMLFMMHF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.62
Rot. Bonds7

About ethyl 2-(diethylamino)-5-methylhex-4-enoate

ethyl 2-(diethylamino)-5-methylhex-4-enoate (PubChem CID 23265794) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-5-methylhex-4-enoate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-5-methylhex-4-enoate
PubChem CID23265794
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-(diethylamino)-5-methylhex-4-enoate
SMILESCCOC(=O)C(CC=C(C)C)N(CC)CC
InChIInChI=1S/C13H25NO2/c1-6-14(7-2)12(10-9-11(4)5)13(15)16-8-3/h9,12H,6-8,10H2,1-5H3
InChIKeyVZEFHDPMLFMMHF-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-formamido-5-methylhex-4-enoate
CID 10465363
(2-ethoxy-2-oxoethyl) 2-(diethylamino)butanoate
CID 75468084
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
ethyl (2Z)-3,4,7-trimethylocta-2,6-dienoate
CID 14526716
ethyl 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]butanoate
CID 64660529
ethyl (2S)-2-(dihydroxyamino)pent-4-enoate
CID 87282808
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
CID 82840562
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
diethyl 2-(5-methylhex-4-enyl)propanedioate
CID 10999682
N,N-diethyl-6-methylhepta-1,5-dien-3-amine
CID 142113031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-5-methylhex-4-enoate?
The IUPAC name of ethyl 2-(diethylamino)-5-methylhex-4-enoate (CID 23265794) is ethyl 2-(diethylamino)-5-methylhex-4-enoate.
What is the SMILES notation for ethyl 2-(diethylamino)-5-methylhex-4-enoate?
The canonical SMILES for ethyl 2-(diethylamino)-5-methylhex-4-enoate is CCOC(=O)C(CC=C(C)C)N(CC)CC.
What is the InChIKey of ethyl 2-(diethylamino)-5-methylhex-4-enoate?
The InChIKey is VZEFHDPMLFMMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-14(7-2)12(10-9-11(4)5)13(15)16-8-3/h9,12H,6-8,10H2,1-5H3.
What are the key properties of ethyl 2-(diethylamino)-5-methylhex-4-enoate?
ethyl 2-(diethylamino)-5-methylhex-4-enoate has a molecular weight of 227.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-5-methylhex-4-enoate is sourced from PubChem (CID 23265794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).