butyl (E)-3-(diethylamino)-2-methylprop-2-enoate

C12H23NO2 — CID 19993835

IUPACbutyl (E)-3-(diethylamino)-2-methylprop-2-enoate
SMILESCCCCOC(=O)/C(C)=C/N(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-8-9-15-12(14)11(4)10-13(6-2)7-3/h10H,5-9H2,1-4H3/b11-10+
InChIKeyTVRQVTNWPFNTCW-ZHACJKMWSA-N
MW213.32 g/mol
LogP2.58
Rot. Bonds7

About butyl (E)-3-(diethylamino)-2-methylprop-2-enoate

butyl (E)-3-(diethylamino)-2-methylprop-2-enoate (PubChem CID 19993835) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is butyl (E)-3-(diethylamino)-2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl (E)-3-(diethylamino)-2-methylprop-2-enoate
PubChem CID19993835
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namebutyl (E)-3-(diethylamino)-2-methylprop-2-enoate
SMILESCCCCOC(=O)/C(C)=C/N(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-8-9-15-12(14)11(4)10-13(6-2)7-3/h10H,5-9H2,1-4H3/b11-10+
InChIKeyTVRQVTNWPFNTCW-ZHACJKMWSA-N
XLogP2.58
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 ≤ 52.58
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

Diethylaminoethyl Methacrylate
CID 61012
Diethyl 2-((dimethylamino)methylene)malonate
CID 140439
2-Propenoic acid, 2-methyl-, 3-(dimethylamino)propyl ester
CID 88611
1-Propanaminium, N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propenyl)oxy]-
CID 6454143
Ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
Triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 407716
N-diethylaminomethyl methacrylate
CID 10171274
Ethyl (E)-3-(dimethylamino)-2-methylacrylate
CID 12349168
Diethylamino ethyl methacrylate
CID 13156757
Dimethylaminobutyl methacrylate
CID 15597304
n-Dimethylaminoethyl methacrylate
CID 17946677
N,N'-dimethylaminopropyl methacrylate
CID 18401957

Frequently Asked Questions

What is the IUPAC name of butyl (E)-3-(diethylamino)-2-methylprop-2-enoate?
The IUPAC name of butyl (E)-3-(diethylamino)-2-methylprop-2-enoate (CID 19993835) is butyl (E)-3-(diethylamino)-2-methylprop-2-enoate.
What is the SMILES notation for butyl (E)-3-(diethylamino)-2-methylprop-2-enoate?
The canonical SMILES for butyl (E)-3-(diethylamino)-2-methylprop-2-enoate is CCCCOC(=O)/C(C)=C/N(CC)CC.
What is the InChIKey of butyl (E)-3-(diethylamino)-2-methylprop-2-enoate?
The InChIKey is TVRQVTNWPFNTCW-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-8-9-15-12(14)11(4)10-13(6-2)7-3/h10H,5-9H2,1-4H3/b11-10+.
What are the key properties of butyl (E)-3-(diethylamino)-2-methylprop-2-enoate?
butyl (E)-3-(diethylamino)-2-methylprop-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E)-3-(diethylamino)-2-methylprop-2-enoate is sourced from PubChem (CID 19993835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).