2-(diethylamino)-1-iodopropane-1,1-diol

C7H16INO2 — CID 87575576

IUPAC2-(diethylamino)-1-iodopropane-1,1-diol
SMILESCCN(CC)C(C)C(O)(O)I
InChIInChI=1S/C7H16INO2/c1-4-9(5-2)6(3)7(8,10)11/h6,10-11H,4-5H2,1-3H3
InChIKeyAYKMHDIWPAVIOG-UHFFFAOYSA-N
MW273.11 g/mol
LogP0.79
Rot. Bonds4

About 2-(diethylamino)-1-iodopropane-1,1-diol

2-(diethylamino)-1-iodopropane-1,1-diol (PubChem CID 87575576) has the molecular formula C7H16INO2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-(diethylamino)-1-iodopropane-1,1-diol.

Molecular Properties

Compound Name2-(diethylamino)-1-iodopropane-1,1-diol
PubChem CID87575576
Molecular FormulaC7H16INO2
Molecular Weight273.11 g/mol
Exact Mass273.02
IUPAC Name2-(diethylamino)-1-iodopropane-1,1-diol
SMILESCCN(CC)C(C)C(O)(O)I
InChIInChI=1S/C7H16INO2/c1-4-9(5-2)6(3)7(8,10)11/h6,10-11H,4-5H2,1-3H3
InChIKeyAYKMHDIWPAVIOG-UHFFFAOYSA-N
XLogP0.79
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-iodopropane-1,1-diol?
The IUPAC name of 2-(diethylamino)-1-iodopropane-1,1-diol (CID 87575576) is 2-(diethylamino)-1-iodopropane-1,1-diol.
What is the SMILES notation for 2-(diethylamino)-1-iodopropane-1,1-diol?
The canonical SMILES for 2-(diethylamino)-1-iodopropane-1,1-diol is CCN(CC)C(C)C(O)(O)I.
What is the InChIKey of 2-(diethylamino)-1-iodopropane-1,1-diol?
The InChIKey is AYKMHDIWPAVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16INO2/c1-4-9(5-2)6(3)7(8,10)11/h6,10-11H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-iodopropane-1,1-diol?
2-(diethylamino)-1-iodopropane-1,1-diol has a molecular weight of 273.11 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-iodopropane-1,1-diol is sourced from PubChem (CID 87575576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).