2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide

C8H19IN2O2 — CID 175248115

IUPAC2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
SMILESC=CC(=O)OCCN.CN(C)C.I
InChIInChI=1S/C5H9NO2.C3H9N.HI/c1-2-5(7)8-4-3-6;1-4(2)3;/h2H,1,3-4,6H2;1-3H3;1H
InChIKeyJULDBGNTZASMGY-UHFFFAOYSA-N
MW302.16 g/mol
LogP0.47
Rot. Bonds3

About 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide

2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide (PubChem CID 175248115) has the molecular formula C8H19IN2O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide.

Molecular Properties

Compound Name2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
PubChem CID175248115
Molecular FormulaC8H19IN2O2
Molecular Weight302.16 g/mol
Exact Mass302.05
IUPAC Name2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
SMILESC=CC(=O)OCCN.CN(C)C.I
InChIInChI=1S/C5H9NO2.C3H9N.HI/c1-2-5(7)8-4-3-6;1-4(2)3;/h2H,1,3-4,6H2;1-3H3;1H
InChIKeyJULDBGNTZASMGY-UHFFFAOYSA-N
XLogP0.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-aminoethyl prop-2-enoate;ethyl hydrogen sulfate
CID 174928512
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine
CID 135146365
N,N-dimethylmethanamine;methyl hydrogen sulfate;propyl prop-2-enoate
CID 87758243
4-(dimethylamino)but-3-enyl prop-2-enoate
CID 141108396
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
amino prop-2-enoate;N,N-dimethylmethanamine
CID 174521211
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide?
The IUPAC name of 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide (CID 175248115) is 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide.
What is the SMILES notation for 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide?
The canonical SMILES for 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide is C=CC(=O)OCCN.CN(C)C.I.
What is the InChIKey of 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide?
The InChIKey is JULDBGNTZASMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C3H9N.HI/c1-2-5(7)8-4-3-6;1-4(2)3;/h2H,1,3-4,6H2;1-3H3;1H.
What are the key properties of 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide?
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide has a molecular weight of 302.16 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide is sourced from PubChem (CID 175248115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).