trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide

C11H28I2N2 — CID 21353

IUPACtrimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
SMILESC[N+](C)(C)CCCCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
InChIKeySRFSMBZBBSVMKO-UHFFFAOYSA-L
MW442.17 g/mol
LogP-4.42
Rot. Bonds6

About trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide

trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide (PubChem CID 21353) has the molecular formula C11H28I2N2 and a molecular weight of 442.17 g/mol. Its IUPAC name is trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide.

Molecular Properties

Compound Nametrimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
PubChem CID21353
Molecular FormulaC11H28I2N2
Molecular Weight442.17 g/mol
Exact Mass442.03
IUPAC Nametrimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
SMILESC[N+](C)(C)CCCCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
InChIKeySRFSMBZBBSVMKO-UHFFFAOYSA-L
XLogP-4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 5-4.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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

tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl(pentyl)azanium iodide
CID 29431
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide?
The IUPAC name of trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide (CID 21353) is trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide.
What is the SMILES notation for trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide?
The canonical SMILES for trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide is C[N+](C)(C)CCCCC[N+](C)(C)C.[I-].[I-].
What is the InChIKey of trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide?
The InChIKey is SRFSMBZBBSVMKO-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide?
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide has a molecular weight of 442.17 g/mol, XLogP of -4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide is sourced from PubChem (CID 21353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).