2-cyanoethyl-diethyl-methylazanium iodide

C8H17IN2 — CID 131863694

IUPAC2-cyanoethyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CCC#N.[I-]
InChIInChI=1S/C8H17N2.HI/c1-4-10(3,5-2)8-6-7-9;/h4-6,8H2,1-3H3;1H/q+1;/p-1
InChIKeyFQFBBGBOLDBHDZ-UHFFFAOYSA-M
MW268.14 g/mol
LogP-1.61
Rot. Bonds4

About 2-cyanoethyl-diethyl-methylazanium iodide

2-cyanoethyl-diethyl-methylazanium iodide (PubChem CID 131863694) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-cyanoethyl-diethyl-methylazanium iodide.

Molecular Properties

Compound Name2-cyanoethyl-diethyl-methylazanium iodide
PubChem CID131863694
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC Name2-cyanoethyl-diethyl-methylazanium iodide
SMILESCC[N+](C)(CC)CCC#N.[I-]
InChIInChI=1S/C8H17N2.HI/c1-4-10(3,5-2)8-6-7-9;/h4-6,8H2,1-3H3;1H/q+1;/p-1
InChIKeyFQFBBGBOLDBHDZ-UHFFFAOYSA-M
XLogP-1.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-cyanoethyl-diethyl-methylazanium iodide?
The IUPAC name of 2-cyanoethyl-diethyl-methylazanium iodide (CID 131863694) is 2-cyanoethyl-diethyl-methylazanium iodide.
What is the SMILES notation for 2-cyanoethyl-diethyl-methylazanium iodide?
The canonical SMILES for 2-cyanoethyl-diethyl-methylazanium iodide is CC[N+](C)(CC)CCC#N.[I-].
What is the InChIKey of 2-cyanoethyl-diethyl-methylazanium iodide?
The InChIKey is FQFBBGBOLDBHDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17N2.HI/c1-4-10(3,5-2)8-6-7-9;/h4-6,8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-cyanoethyl-diethyl-methylazanium iodide?
2-cyanoethyl-diethyl-methylazanium iodide has a molecular weight of 268.14 g/mol, XLogP of -1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl-diethyl-methylazanium iodide is sourced from PubChem (CID 131863694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).