diethyl-methyl-(10-oxodecyl)azanium iodide

C15H32INO — CID 71393760

IUPACdiethyl-methyl-(10-oxodecyl)azanium iodide
SMILESCC[N+](C)(CC)CCCCCCCCCC=O.[I-]
InChIInChI=1S/C15H32NO.HI/c1-4-16(3,5-2)14-12-10-8-6-7-9-11-13-15-17;/h15H,4-14H2,1-3H3;1H/q+1;/p-1
InChIKeyTWLWPPRGANHNPC-UHFFFAOYSA-M
MW369.33 g/mol
LogP0.80
Rot. Bonds12

About diethyl-methyl-(10-oxodecyl)azanium iodide

diethyl-methyl-(10-oxodecyl)azanium iodide (PubChem CID 71393760) has the molecular formula C15H32INO and a molecular weight of 369.33 g/mol. Its IUPAC name is diethyl-methyl-(10-oxodecyl)azanium iodide.

Molecular Properties

Compound Namediethyl-methyl-(10-oxodecyl)azanium iodide
PubChem CID71393760
Molecular FormulaC15H32INO
Molecular Weight369.33 g/mol
Exact Mass369.15
IUPAC Namediethyl-methyl-(10-oxodecyl)azanium iodide
SMILESCC[N+](C)(CC)CCCCCCCCCC=O.[I-]
InChIInChI=1S/C15H32NO.HI/c1-4-16(3,5-2)14-12-10-8-6-7-9-11-13-15-17;/h15H,4-14H2,1-3H3;1H/q+1;/p-1
InChIKeyTWLWPPRGANHNPC-UHFFFAOYSA-M
XLogP0.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(6-oxohexyl)azanium
CID 57072310
trimethyl(16-oxohexadecyl)azanium
CID 177225514
diethyl-methyl-[(Z)-octadec-9-enyl]azanium chloride
CID 88520023
trimethyl(5-oxopentyl)azanium chloride
CID 87319360
dodecyl-diethyl-methylazanium
CID 14494908
pentadecanedial
CID 22887412
docosyl-diethyl-methylazanium chloride
CID 87975854
decanal;decane
CID 157361056
(E)-octadec-14-enal
CID 5367669
dimethyl-(6-oxohexyl)-prop-2-enylazanium
CID 169160145
didecyl-methyl-(2-oxoethyl)azanium
CID 23124070
azane;octadecanal
CID 87079794

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(10-oxodecyl)azanium iodide?
The IUPAC name of diethyl-methyl-(10-oxodecyl)azanium iodide (CID 71393760) is diethyl-methyl-(10-oxodecyl)azanium iodide.
What is the SMILES notation for diethyl-methyl-(10-oxodecyl)azanium iodide?
The canonical SMILES for diethyl-methyl-(10-oxodecyl)azanium iodide is CC[N+](C)(CC)CCCCCCCCCC=O.[I-].
What is the InChIKey of diethyl-methyl-(10-oxodecyl)azanium iodide?
The InChIKey is TWLWPPRGANHNPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32NO.HI/c1-4-16(3,5-2)14-12-10-8-6-7-9-11-13-15-17;/h15H,4-14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of diethyl-methyl-(10-oxodecyl)azanium iodide?
diethyl-methyl-(10-oxodecyl)azanium iodide has a molecular weight of 369.33 g/mol, XLogP of 0.80, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(10-oxodecyl)azanium iodide is sourced from PubChem (CID 71393760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).