triethyl(4-iodobutyl)azanium

C10H23IN+ — CID 18679164

IUPACtriethyl(4-iodobutyl)azanium
SMILESCC[N+](CC)(CC)CCCCI
InChIInChI=1S/C10H23IN/c1-4-12(5-2,6-3)10-8-7-9-11/h4-10H2,1-3H3/q+1
InChIKeyKDTATQNMSOFCRY-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.08
Rot. Bonds7

About triethyl(4-iodobutyl)azanium

triethyl(4-iodobutyl)azanium (PubChem CID 18679164) has the molecular formula C10H23IN+ and a molecular weight of 284.20 g/mol. Its IUPAC name is triethyl(4-iodobutyl)azanium.

Molecular Properties

Compound Nametriethyl(4-iodobutyl)azanium
PubChem CID18679164
Molecular FormulaC10H23IN+
Molecular Weight284.20 g/mol
Exact Mass284.09
IUPAC Nametriethyl(4-iodobutyl)azanium
SMILESCC[N+](CC)(CC)CCCCI
InChIInChI=1S/C10H23IN/c1-4-12(5-2,6-3)10-8-7-9-11/h4-10H2,1-3H3/q+1
InChIKeyKDTATQNMSOFCRY-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.08
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?
The IUPAC name of triethyl(4-iodobutyl)azanium (CID 18679164) is triethyl(4-iodobutyl)azanium.
What is the SMILES notation for triethyl(4-iodobutyl)azanium?
The canonical SMILES for triethyl(4-iodobutyl)azanium is CC[N+](CC)(CC)CCCCI.
What is the InChIKey of triethyl(4-iodobutyl)azanium?
The InChIKey is KDTATQNMSOFCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23IN/c1-4-12(5-2,6-3)10-8-7-9-11/h4-10H2,1-3H3/q+1.
What are the key properties of triethyl(4-iodobutyl)azanium?
triethyl(4-iodobutyl)azanium has a molecular weight of 284.20 g/mol, XLogP of 3.08, 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 is sourced from PubChem (CID 18679164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).