ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate

C14H23NO2 — CID 103254926

IUPACethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
SMILESC=C(CNCC(C1CC1)C1CC1)C(=O)OCC
InChIInChI=1S/C14H23NO2/c1-3-17-14(16)10(2)8-15-9-13(11-4-5-11)12-6-7-12/h11-13,15H,2-9H2,1H3
InChIKeyFOFJGRMRNVZOQQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.13
Rot. Bonds8

About ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate

ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate (PubChem CID 103254926) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
PubChem CID103254926
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
SMILESC=C(CNCC(C1CC1)C1CC1)C(=O)OCC
InChIInChI=1S/C14H23NO2/c1-3-17-14(16)10(2)8-15-9-13(11-4-5-11)12-6-7-12/h11-13,15H,2-9H2,1H3
InChIKeyFOFJGRMRNVZOQQ-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]prop-2-enoate
CID 106178121
ethyl 2-[(2,3-dihydroxypropylamino)methyl]prop-2-enoate
CID 103256238
ethyl 2-[(2-methylsulfinylpropylamino)methyl]prop-2-enoate
CID 103265743
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
CID 103265214
ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate
CID 103251898
ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
CID 103253445
ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
CID 103249346
ethyl 2-[(3-propoxypropylamino)methyl]prop-2-enoate
CID 103260774
ethyl 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]prop-2-enoate
CID 103269315
ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
CID 103261017
ethyl 2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]prop-2-enoate
CID 103256132
ethyl 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]prop-2-enoate
CID 103254729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate (CID 103254926) is ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate is C=C(CNCC(C1CC1)C1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate?
The InChIKey is FOFJGRMRNVZOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-17-14(16)10(2)8-15-9-13(11-4-5-11)12-6-7-12/h11-13,15H,2-9H2,1H3.
What are the key properties of ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate?
ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate has a molecular weight of 237.34 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate is sourced from PubChem (CID 103254926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).