diethyl-(3-iodopropyl)-methylazanium

C8H19IN+ — CID 88741360

IUPACdiethyl-(3-iodopropyl)-methylazanium
SMILESCC[N+](C)(CC)CCCI
InChIInChI=1S/C8H19IN/c1-4-10(3,5-2)8-6-7-9/h4-8H2,1-3H3/q+1
InChIKeyCSHRQVUYJFILKS-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.30
Rot. Bonds5

About diethyl-(3-iodopropyl)-methylazanium

diethyl-(3-iodopropyl)-methylazanium (PubChem CID 88741360) has the molecular formula C8H19IN+ and a molecular weight of 256.15 g/mol. Its IUPAC name is diethyl-(3-iodopropyl)-methylazanium.

Molecular Properties

Compound Namediethyl-(3-iodopropyl)-methylazanium
PubChem CID88741360
Molecular FormulaC8H19IN+
Molecular Weight256.15 g/mol
Exact Mass256.06
IUPAC Namediethyl-(3-iodopropyl)-methylazanium
SMILESCC[N+](C)(CC)CCCI
InChIInChI=1S/C8H19IN/c1-4-10(3,5-2)8-6-7-9/h4-8H2,1-3H3/q+1
InChIKeyCSHRQVUYJFILKS-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-diethyl-methylazanium
CID 14494908
docosyl-diethyl-methylazanium chloride
CID 87975854
dibutyl-ethyl-methylazanium chloride
CID 22486999
3-iodopropyl-dimethyl-octadecylazanium
CID 155766197
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
butyl-ethyl-methyl-pentylazanium
CID 87508333
ethyl-methyl-di(undecyl)azanium
CID 156729684
3-[[3-[diethyl(methyl)azaniumyl]propyl-dimethylsilyl]methyl-dimethylsilyl]propyl-diethyl-methylazanium diiodide
CID 12683536
dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
CID 174806932
diethyl-methyl-(10-oxodecyl)azanium iodide
CID 71393760
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
diethyl-methyl-[(Z)-octadec-9-enyl]azanium chloride
CID 88520023

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-iodopropyl)-methylazanium?
The IUPAC name of diethyl-(3-iodopropyl)-methylazanium (CID 88741360) is diethyl-(3-iodopropyl)-methylazanium.
What is the SMILES notation for diethyl-(3-iodopropyl)-methylazanium?
The canonical SMILES for diethyl-(3-iodopropyl)-methylazanium is CC[N+](C)(CC)CCCI.
What is the InChIKey of diethyl-(3-iodopropyl)-methylazanium?
The InChIKey is CSHRQVUYJFILKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19IN/c1-4-10(3,5-2)8-6-7-9/h4-8H2,1-3H3/q+1.
What are the key properties of diethyl-(3-iodopropyl)-methylazanium?
diethyl-(3-iodopropyl)-methylazanium has a molecular weight of 256.15 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-iodopropyl)-methylazanium is sourced from PubChem (CID 88741360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).