triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide

C11H23IN2O — CID 53431715

IUPACtriethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide
SMILESC=CC(=O)NCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C11H22N2O.HI/c1-5-11(14)12-9-10-13(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H
InChIKeyXXGQPGNQRDOVCR-UHFFFAOYSA-N
MW326.22 g/mol
LogP-1.83
Rot. Bonds7

About triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide

triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide (PubChem CID 53431715) has the molecular formula C11H23IN2O and a molecular weight of 326.22 g/mol. Its IUPAC name is triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide.

Molecular Properties

Compound Nametriethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide
PubChem CID53431715
Molecular FormulaC11H23IN2O
Molecular Weight326.22 g/mol
Exact Mass326.09
IUPAC Nametriethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide
SMILESC=CC(=O)NCC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C11H22N2O.HI/c1-5-11(14)12-9-10-13(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H
InChIKeyXXGQPGNQRDOVCR-UHFFFAOYSA-N
XLogP-1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N-(2-Aminoethyl)acrylamide hydrochloride
CID 21939126
Ammonium, vinylenebis(carbonylimino)diethylenebis(trimethyl-, diiodide
CID 6434678
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
N-(2-aminoethyl)acrylamide
CID 152664
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
3-(Acryloylamino)propyltrimethylammonium chloride
CID 155928684

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide?
The IUPAC name of triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide (CID 53431715) is triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide.
What is the SMILES notation for triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide?
The canonical SMILES for triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide is C=CC(=O)NCC[N+](CC)(CC)CC.[I-].
What is the InChIKey of triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide?
The InChIKey is XXGQPGNQRDOVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.HI/c1-5-11(14)12-9-10-13(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H.
What are the key properties of triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide?
triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide has a molecular weight of 326.22 g/mol, XLogP of -1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(prop-2-enoylamino)ethyl]azanium iodide is sourced from PubChem (CID 53431715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).