[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate

C11H21NO2 — CID 91213887

IUPAC[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(C)(CC)NC
InChIInChI=1S/C11H21NO2/c1-7-11(5,12-6)9(4)14-10(13)8(2)3/h9,12H,2,7H2,1,3-6H3
InChIKeySOXPLKAVBGDTRH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate

[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate (PubChem CID 91213887) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
PubChem CID91213887
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(C)(CC)NC
InChIInChI=1S/C11H21NO2/c1-7-11(5,12-6)9(4)14-10(13)8(2)3/h9,12H,2,7H2,1,3-6H3
InChIKeySOXPLKAVBGDTRH-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
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

[1-chloro-2-ethyl-2-(methylamino)butyl] 2-methylprop-2-enoate
CID 141389567
1-(tert-butylamino)propyl 2-methylprop-2-enoate
CID 18325515
azane;(3-chloro-3-methylbutan-2-yl) 2-methylprop-2-enoate
CID 87146988
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
(3-amino-3-hydroxybutan-2-yl) 2-methylprop-2-enoate;azane;dihydrochloride
CID 173041464
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate
CID 139878668
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-2-yl 2-methylprop-2-enoate
CID 87776584
azane;(4-chloro-4-ethylhexan-3-yl) 2-methylprop-2-enoate
CID 87147317
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate (CID 91213887) is [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(C)(CC)NC.
What is the InChIKey of [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate?
The InChIKey is SOXPLKAVBGDTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-11(5,12-6)9(4)14-10(13)8(2)3/h9,12H,2,7H2,1,3-6H3.
What are the key properties of [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate?
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 91213887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).