diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium

C9H19INO2+ — CID 162508941

IUPACdiethyl-[2-(2-iodopropanoyloxy)ethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)C(C)I
InChIInChI=1S/C9H18INO2/c1-4-11(5-2)6-7-13-9(12)8(3)10/h8H,4-7H2,1-3H3/p+1
InChIKeyPHPPGSMCQJCOQY-UHFFFAOYSA-O
MW300.16 g/mol
LogP0.28
Rot. Bonds6

About diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium

diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium (PubChem CID 162508941) has the molecular formula C9H19INO2+ and a molecular weight of 300.16 g/mol. Its IUPAC name is diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-(2-iodopropanoyloxy)ethyl]azanium
PubChem CID162508941
Molecular FormulaC9H19INO2+
Molecular Weight300.16 g/mol
Exact Mass300.05
IUPAC Namediethyl-[2-(2-iodopropanoyloxy)ethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)C(C)I
InChIInChI=1S/C9H18INO2/c1-4-11(5-2)6-7-13-9(12)8(3)10/h8H,4-7H2,1-3H3/p+1
InChIKeyPHPPGSMCQJCOQY-UHFFFAOYSA-O
XLogP0.28
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
CID 168757934
2-cyclohexylethyl 2-iodopropanoate
CID 155660085
dipropyl 2,3-diiodobutanedioate
CID 87640369
2-piperazin-1-ylethyl 2-iodopropanoate
CID 162508644
1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate
CID 87483119
2-iodopropyl carbamate
CID 87289235
diethyl-[2-(4-pentoxybenzoyl)oxyethyl]azanium chloride
CID 30179
2-iodobutyl 2-methylpropanoate
CID 87446534
2-iodopropyl carbonofluoridate
CID 118465559
2-[2-(2-morpholin-4-ium-4-ylethoxy)ethoxy]ethyl 2-iodopropanoate
CID 162509469

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium?
The IUPAC name of diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium (CID 162508941) is diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium.
What is the SMILES notation for diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium?
The canonical SMILES for diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium is CC[NH+](CC)CCOC(=O)C(C)I.
What is the InChIKey of diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium?
The InChIKey is PHPPGSMCQJCOQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18INO2/c1-4-11(5-2)6-7-13-9(12)8(3)10/h8H,4-7H2,1-3H3/p+1.
What are the key properties of diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium?
diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium has a molecular weight of 300.16 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium is sourced from PubChem (CID 162508941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).