2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate

C11H21NO2 — CID 54264290

IUPAC2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCC(C)CC
InChIInChI=1S/C11H21NO2/c1-5-10(4)8-12-6-7-14-11(13)9(2)3/h10,12H,2,5-8H2,1,3-4H3
InChIKeyRFRFAQRMFRAXKR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.74
Rot. Bonds7

About 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate

2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate (PubChem CID 54264290) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate
PubChem CID54264290
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCC(C)CC
InChIInChI=1S/C11H21NO2/c1-5-10(4)8-12-6-7-14-11(13)9(2)3/h10,12H,2,5-8H2,1,3-4H3
InChIKeyRFRFAQRMFRAXKR-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate (CID 54264290) is 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCC(C)CC.
What is the InChIKey of 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is RFRFAQRMFRAXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-10(4)8-12-6-7-14-11(13)9(2)3/h10,12H,2,5-8H2,1,3-4H3.
What are the key properties of 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate?
2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54264290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).