[3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate

C11H21NO2 — CID 3022704

IUPAC[3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)CN(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)10(13)14-8-11(3,4)7-12(5)6/h1,7-8H2,2-6H3
InChIKeyVVOKYOKVMKJIMT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds5

About [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate

[3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate (PubChem CID 3022704) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate
PubChem CID3022704
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)CN(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)10(13)14-8-11(3,4)7-12(5)6/h1,7-8H2,2-6H3
InChIKeyVVOKYOKVMKJIMT-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate (CID 3022704) is [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)CN(C)C.
What is the InChIKey of [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The InChIKey is VVOKYOKVMKJIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)10(13)14-8-11(3,4)7-12(5)6/h1,7-8H2,2-6H3.
What are the key properties of [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
[3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 3022704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).