3,3-diiodo-N-methylpropan-1-amine

C4H9I2N — CID 163912739

IUPAC3,3-diiodo-N-methylpropan-1-amine
SMILESCNCCC(I)I
InChIInChI=1S/C4H9I2N/c1-7-3-2-4(5)6/h4,7H,2-3H2,1H3
InChIKeyQTOQTDCASIDBTM-UHFFFAOYSA-N
MW324.93 g/mol
LogP1.79
Rot. Bonds3

About 3,3-diiodo-N-methylpropan-1-amine

3,3-diiodo-N-methylpropan-1-amine (PubChem CID 163912739) has the molecular formula C4H9I2N and a molecular weight of 324.93 g/mol. Its IUPAC name is 3,3-diiodo-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3-diiodo-N-methylpropan-1-amine
PubChem CID163912739
Molecular FormulaC4H9I2N
Molecular Weight324.93 g/mol
Exact Mass324.88
IUPAC Name3,3-diiodo-N-methylpropan-1-amine
SMILESCNCCC(I)I
InChIInChI=1S/C4H9I2N/c1-7-3-2-4(5)6/h4,7H,2-3H2,1H3
InChIKeyQTOQTDCASIDBTM-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.93
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 3,3-diiodo-N-methylpropan-1-amine?
The IUPAC name of 3,3-diiodo-N-methylpropan-1-amine (CID 163912739) is 3,3-diiodo-N-methylpropan-1-amine.
What is the SMILES notation for 3,3-diiodo-N-methylpropan-1-amine?
The canonical SMILES for 3,3-diiodo-N-methylpropan-1-amine is CNCCC(I)I.
What is the InChIKey of 3,3-diiodo-N-methylpropan-1-amine?
The InChIKey is QTOQTDCASIDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9I2N/c1-7-3-2-4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of 3,3-diiodo-N-methylpropan-1-amine?
3,3-diiodo-N-methylpropan-1-amine has a molecular weight of 324.93 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diiodo-N-methylpropan-1-amine is sourced from PubChem (CID 163912739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).