ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate

C13H23NO2 — CID 135016024

IUPACethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate
SMILESC=CCN(CC=C)CC(C)(C)C(=O)OCC
InChIInChI=1S/C13H23NO2/c1-6-9-14(10-7-2)11-13(4,5)12(15)16-8-3/h6-7H,1-2,8-11H2,3-5H3
InChIKeyAZVLDDPGWVJZJE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds8

About ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate

ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate (PubChem CID 135016024) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate
PubChem CID135016024
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate
SMILESC=CCN(CC=C)CC(C)(C)C(=O)OCC
InChIInChI=1S/C13H23NO2/c1-6-9-14(10-7-2)11-13(4,5)12(15)16-8-3/h6-7H,1-2,8-11H2,3-5H3
InChIKeyAZVLDDPGWVJZJE-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate (CID 135016024) is ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate is C=CCN(CC=C)CC(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate?
The InChIKey is AZVLDDPGWVJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-9-14(10-7-2)11-13(4,5)12(15)16-8-3/h6-7H,1-2,8-11H2,3-5H3.
What are the key properties of ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate?
ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate has a molecular weight of 225.33 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[bis(prop-2-enyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 135016024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).