2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate

C12H23NO2 — CID 28003

IUPAC2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3
InChIKeySVYHMICYJHWXIN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds6

About 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate

2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 28003) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate
PubChem CID28003
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3
InChIKeySVYHMICYJHWXIN-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate (CID 28003) is 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is SVYHMICYJHWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate?
2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 28003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).