2-iodo-N,N-dimethylethanamine;hydroiodide

C4H11I2N — CID 12701016

IUPAC2-iodo-N,N-dimethylethanamine;hydroiodide
SMILESCN(C)CCI.I
InChIInChI=1S/C4H10IN.HI/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKeyGHHBYTOZNIMUBP-UHFFFAOYSA-N
MW326.95 g/mol
LogP1.60
Rot. Bonds2

About 2-iodo-N,N-dimethylethanamine;hydroiodide

2-iodo-N,N-dimethylethanamine;hydroiodide (PubChem CID 12701016) has the molecular formula C4H11I2N and a molecular weight of 326.95 g/mol. Its IUPAC name is 2-iodo-N,N-dimethylethanamine;hydroiodide.

Molecular Properties

Compound Name2-iodo-N,N-dimethylethanamine;hydroiodide
PubChem CID12701016
Molecular FormulaC4H11I2N
Molecular Weight326.95 g/mol
Exact Mass326.90
IUPAC Name2-iodo-N,N-dimethylethanamine;hydroiodide
SMILESCN(C)CCI.I
InChIInChI=1S/C4H10IN.HI/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKeyGHHBYTOZNIMUBP-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.95
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,N-dimethylethanamine;hydroiodide?
The IUPAC name of 2-iodo-N,N-dimethylethanamine;hydroiodide (CID 12701016) is 2-iodo-N,N-dimethylethanamine;hydroiodide.
What is the SMILES notation for 2-iodo-N,N-dimethylethanamine;hydroiodide?
The canonical SMILES for 2-iodo-N,N-dimethylethanamine;hydroiodide is CN(C)CCI.I.
What is the InChIKey of 2-iodo-N,N-dimethylethanamine;hydroiodide?
The InChIKey is GHHBYTOZNIMUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10IN.HI/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H.
What are the key properties of 2-iodo-N,N-dimethylethanamine;hydroiodide?
2-iodo-N,N-dimethylethanamine;hydroiodide has a molecular weight of 326.95 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,N-dimethylethanamine;hydroiodide is sourced from PubChem (CID 12701016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).