triethyl(4-iodobutyl)azanium iodide

C10H23I2N — CID 18679163

IUPACtriethyl(4-iodobutyl)azanium iodide
SMILESCC[N+](CC)(CC)CCCCI.[I-]
InChIInChI=1S/C10H23IN.HI/c1-4-12(5-2,6-3)10-8-7-9-11;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyHYSLOWIEFXYVCF-UHFFFAOYSA-M
MW411.11 g/mol
LogP0.08
Rot. Bonds7

About triethyl(4-iodobutyl)azanium iodide

triethyl(4-iodobutyl)azanium iodide (PubChem CID 18679163) has the molecular formula C10H23I2N and a molecular weight of 411.11 g/mol. Its IUPAC name is triethyl(4-iodobutyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(4-iodobutyl)azanium iodide
PubChem CID18679163
Molecular FormulaC10H23I2N
Molecular Weight411.11 g/mol
Exact Mass410.99
IUPAC Nametriethyl(4-iodobutyl)azanium iodide
SMILESCC[N+](CC)(CC)CCCCI.[I-]
InChIInChI=1S/C10H23IN.HI/c1-4-12(5-2,6-3)10-8-7-9-11;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyHYSLOWIEFXYVCF-UHFFFAOYSA-M
XLogP0.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.11
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of triethyl(4-iodobutyl)azanium iodide?
The IUPAC name of triethyl(4-iodobutyl)azanium iodide (CID 18679163) is triethyl(4-iodobutyl)azanium iodide.
What is the SMILES notation for triethyl(4-iodobutyl)azanium iodide?
The canonical SMILES for triethyl(4-iodobutyl)azanium iodide is CC[N+](CC)(CC)CCCCI.[I-].
What is the InChIKey of triethyl(4-iodobutyl)azanium iodide?
The InChIKey is HYSLOWIEFXYVCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23IN.HI/c1-4-12(5-2,6-3)10-8-7-9-11;/h4-10H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triethyl(4-iodobutyl)azanium iodide?
triethyl(4-iodobutyl)azanium iodide has a molecular weight of 411.11 g/mol, XLogP of 0.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-iodobutyl)azanium iodide is sourced from PubChem (CID 18679163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).