3-(ethylamino)propyl prop-2-enoate;hydrochloride

C8H16ClNO2 — CID 22475655

IUPAC3-(ethylamino)propyl prop-2-enoate;hydrochloride
SMILESC=CC(=O)OCCCNCC.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-3-8(10)11-7-5-6-9-4-2;/h3,9H,1,4-7H2,2H3;1H
InChIKeyRGBOOXGRFQQAIA-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.14
Rot. Bonds6

About 3-(ethylamino)propyl prop-2-enoate;hydrochloride

3-(ethylamino)propyl prop-2-enoate;hydrochloride (PubChem CID 22475655) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-(ethylamino)propyl prop-2-enoate;hydrochloride.

Molecular Properties

Compound Name3-(ethylamino)propyl prop-2-enoate;hydrochloride
PubChem CID22475655
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-(ethylamino)propyl prop-2-enoate;hydrochloride
SMILESC=CC(=O)OCCCNCC.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-3-8(10)11-7-5-6-9-4-2;/h3,9H,1,4-7H2,2H3;1H
InChIKeyRGBOOXGRFQQAIA-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.14
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 3-(ethylamino)propyl prop-2-enoate;hydrochloride?
The IUPAC name of 3-(ethylamino)propyl prop-2-enoate;hydrochloride (CID 22475655) is 3-(ethylamino)propyl prop-2-enoate;hydrochloride.
What is the SMILES notation for 3-(ethylamino)propyl prop-2-enoate;hydrochloride?
The canonical SMILES for 3-(ethylamino)propyl prop-2-enoate;hydrochloride is C=CC(=O)OCCCNCC.Cl.
What is the InChIKey of 3-(ethylamino)propyl prop-2-enoate;hydrochloride?
The InChIKey is RGBOOXGRFQQAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-3-8(10)11-7-5-6-9-4-2;/h3,9H,1,4-7H2,2H3;1H.
What are the key properties of 3-(ethylamino)propyl prop-2-enoate;hydrochloride?
3-(ethylamino)propyl prop-2-enoate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propyl prop-2-enoate;hydrochloride is sourced from PubChem (CID 22475655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).