2-iodo-N,N-dimethylethanamine

C4H10IN — CID 12701015

IUPAC2-iodo-N,N-dimethylethanamine
SMILESCN(C)CCI
InChIInChI=1S/C4H10IN/c1-6(2)4-3-5/h3-4H2,1-2H3
InChIKeyCQJDAFVWXFTRJN-UHFFFAOYSA-N
MW199.03 g/mol
LogP0.98
Rot. Bonds2

About 2-iodo-N,N-dimethylethanamine

2-iodo-N,N-dimethylethanamine (PubChem CID 12701015) has the molecular formula C4H10IN and a molecular weight of 199.03 g/mol. Its IUPAC name is 2-iodo-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-iodo-N,N-dimethylethanamine
PubChem CID12701015
Molecular FormulaC4H10IN
Molecular Weight199.03 g/mol
Exact Mass198.99
IUPAC Name2-iodo-N,N-dimethylethanamine
SMILESCN(C)CCI
InChIInChI=1S/C4H10IN/c1-6(2)4-3-5/h3-4H2,1-2H3
InChIKeyCQJDAFVWXFTRJN-UHFFFAOYSA-N
XLogP0.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 50.98
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?
The IUPAC name of 2-iodo-N,N-dimethylethanamine (CID 12701015) is 2-iodo-N,N-dimethylethanamine.
What is the SMILES notation for 2-iodo-N,N-dimethylethanamine?
The canonical SMILES for 2-iodo-N,N-dimethylethanamine is CN(C)CCI.
What is the InChIKey of 2-iodo-N,N-dimethylethanamine?
The InChIKey is CQJDAFVWXFTRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10IN/c1-6(2)4-3-5/h3-4H2,1-2H3.
What are the key properties of 2-iodo-N,N-dimethylethanamine?
2-iodo-N,N-dimethylethanamine has a molecular weight of 199.03 g/mol, XLogP of 0.98, 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 is sourced from PubChem (CID 12701015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).