2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate

C15H25NO2 — CID 123405363

IUPAC2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CC=CCCC=CC
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-9-10-11-16(4)12-13-18-15(17)14(2)3/h5-6,9-10H,2,7-8,11-13H2,1,3-4H3
InChIKeyASXPUCHOVDKGRB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.95
Rot. Bonds9

About 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate

2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 123405363) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID123405363
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CC=CCCC=CC
InChIInChI=1S/C15H25NO2/c1-5-6-7-8-9-10-11-16(4)12-13-18-15(17)14(2)3/h5-6,9-10H,2,7-8,11-13H2,1,3-4H3
InChIKeyASXPUCHOVDKGRB-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 87914656
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate (CID 123405363) is 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)CC=CCCC=CC.
What is the InChIKey of 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is ASXPUCHOVDKGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-7-8-9-10-11-16(4)12-13-18-15(17)14(2)3/h5-6,9-10H,2,7-8,11-13H2,1,3-4H3.
What are the key properties of 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate?
2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 251.37 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123405363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).