[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate

C11H21NO2 — CID 170780631

IUPAC[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)CN(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)14-7-6-10(3)8-12(4)5/h10H,1,6-8H2,2-5H3
InChIKeyIDKIIAQANAERII-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds6

About [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate

[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate (PubChem CID 170780631) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate
PubChem CID170780631
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)CN(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)14-7-6-10(3)8-12(4)5/h10H,1,6-8H2,2-5H3
InChIKeyIDKIIAQANAERII-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
CID 11367867
[2-methyl-4-(2-methylprop-2-enoyloxy)butyl]phosphonic acid
CID 139818991
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate
CID 87574395
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
4-(2-methylprop-2-enoyloxy)butan-2-ylphosphonic acid
CID 87771040
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate (CID 170780631) is [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)CN(C)C.
What is the InChIKey of [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate?
The InChIKey is IDKIIAQANAERII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(13)14-7-6-10(3)8-12(4)5/h10H,1,6-8H2,2-5H3.
What are the key properties of [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate?
[4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-methylbutyl] 2-methylprop-2-enoate is sourced from PubChem (CID 170780631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).