propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate

C15H29NO2 — CID 19993831

IUPACpropyl (E)-3-(dibutylamino)-2-methylprop-2-enoate
SMILESCCCCN(/C=C(\C)C(=O)OCCC)CCCC
InChIInChI=1S/C15H29NO2/c1-5-8-10-16(11-9-6-2)13-14(4)15(17)18-12-7-3/h13H,5-12H2,1-4H3/b14-13+
InChIKeySTUCVQSNWCVCAX-BUHFOSPRSA-N
MW255.40 g/mol
LogP3.75
Rot. Bonds10

About propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate

propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate (PubChem CID 19993831) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-(dibutylamino)-2-methylprop-2-enoate
PubChem CID19993831
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namepropyl (E)-3-(dibutylamino)-2-methylprop-2-enoate
SMILESCCCCN(/C=C(\C)C(=O)OCCC)CCCC
InChIInChI=1S/C15H29NO2/c1-5-8-10-16(11-9-6-2)13-14(4)15(17)18-12-7-3/h13H,5-12H2,1-4H3/b14-13+
InChIKeySTUCVQSNWCVCAX-BUHFOSPRSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid, 2-methyl-, 3-(dimethylamino)propyl ester
CID 88611
2-(Dibutylamino)ethyl methacrylate
CID 75455
Methacryloyloxypropyltrimethylammonium chloride
CID 6454142
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
3-(Dimethylamino)-2,2-dimethylpropyl 2-methyl-2-propenoate
CID 3022704
Ethyl (E)-3-(dimethylamino)-2-methylacrylate
CID 12349168
Diethylamino ethyl methacrylate
CID 13156757
Dimethylaminobutyl methacrylate
CID 15597304
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium
CID 15691061
N,N'-dimethylaminopropyl methacrylate
CID 18401957
n-Diethylaminoethyl methacrylate
CID 18539664

Frequently Asked Questions

What is the IUPAC name of propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate?
The IUPAC name of propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate (CID 19993831) is propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate.
What is the SMILES notation for propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate?
The canonical SMILES for propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate is CCCCN(/C=C(\C)C(=O)OCCC)CCCC.
What is the InChIKey of propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate?
The InChIKey is STUCVQSNWCVCAX-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-8-10-16(11-9-6-2)13-14(4)15(17)18-12-7-3/h13H,5-12H2,1-4H3/b14-13+.
What are the key properties of propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate?
propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate has a molecular weight of 255.40 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-3-(dibutylamino)-2-methylprop-2-enoate is sourced from PubChem (CID 19993831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).