ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate

C13H25NO2 — CID 79477343

IUPACethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(CC)CC(C)CC)C(=O)OCC
InChIInChI=1S/C13H25NO2/c1-6-11(4)9-14(7-2)10-12(5)13(15)16-8-3/h11H,5-10H2,1-4H3
InChIKeyAPXTYNQHFPZLHW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds8

About ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate

ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate (PubChem CID 79477343) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate
PubChem CID79477343
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(CC)CC(C)CC)C(=O)OCC
InChIInChI=1S/C13H25NO2/c1-6-11(4)9-14(7-2)10-12(5)13(15)16-8-3/h11H,5-10H2,1-4H3
InChIKeyAPXTYNQHFPZLHW-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
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

ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate
CID 103102935
2-methylbutyl 2-methylidenebutanoate
CID 57090354
ethyl 10-methyl-2-methylidenedodecanoate
CID 139878414
ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
CID 79482373
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
CID 79477665
3-O-[3-(2-ethoxycarbonylprop-2-enoyloxy)-2-methylpropyl] 1-O-ethyl 2-methylidenepropanedioate
CID 155375651
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
CID 106446640
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate (CID 79477343) is ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate is C=C(CN(CC)CC(C)CC)C(=O)OCC.
What is the InChIKey of ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate?
The InChIKey is APXTYNQHFPZLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-11(4)9-14(7-2)10-12(5)13(15)16-8-3/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate?
ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate has a molecular weight of 227.35 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 79477343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).