3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide

C10H20BrNO3 — CID 173034939

IUPAC3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide
SMILESBr.C=CC(=O)OCCCN(CC)CCO
InChIInChI=1S/C10H19NO3.BrH/c1-3-10(13)14-9-5-6-11(4-2)7-8-12;/h3,12H,1,4-9H2,2H3;1H
InChIKeyGUMLEWDKFKJNHY-UHFFFAOYSA-N
MW282.18 g/mol
LogP1.00
Rot. Bonds8

About 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide

3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide (PubChem CID 173034939) has the molecular formula C10H20BrNO3 and a molecular weight of 282.18 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide
PubChem CID173034939
Molecular FormulaC10H20BrNO3
Molecular Weight282.18 g/mol
Exact Mass281.06
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide
SMILESBr.C=CC(=O)OCCCN(CC)CCO
InChIInChI=1S/C10H19NO3.BrH/c1-3-10(13)14-9-5-6-11(4-2)7-8-12;/h3,12H,1,4-9H2,2H3;1H
InChIKeyGUMLEWDKFKJNHY-UHFFFAOYSA-N
XLogP1.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 87217880
3-bromopropan-1-ol;3-bromopropyl prop-2-enoate;N,N-diethylethanamine;methane;prop-2-enoyl chloride
CID 159106307
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920
2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
decan-1-ol;decyl prop-2-enoate
CID 158001479
10-hydroxydecyl prop-2-enoate
CID 14715958
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
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 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide (CID 173034939) is 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide is Br.C=CC(=O)OCCCN(CC)CCO.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide?
The InChIKey is GUMLEWDKFKJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.BrH/c1-3-10(13)14-9-5-6-11(4-2)7-8-12;/h3,12H,1,4-9H2,2H3;1H.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide?
3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide has a molecular weight of 282.18 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide is sourced from PubChem (CID 173034939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).