1-aminopropan-2-yl(oxido)azanium iodide

C3H10IN2O- — CID 163943882

IUPAC1-aminopropan-2-yl(oxido)azanium iodide
SMILESCC(CN)[NH2+][O-].[I-]
InChIInChI=1S/C3H10N2O.HI/c1-3(2-4)5-6;/h3H,2,4-5H2,1H3;1H/p-1
InChIKeyLIMGQJIUHIZXTR-UHFFFAOYSA-M
MW217.03 g/mol
LogP-4.60
Rot. Bonds2

About 1-aminopropan-2-yl(oxido)azanium iodide

1-aminopropan-2-yl(oxido)azanium iodide (PubChem CID 163943882) has the molecular formula C3H10IN2O- and a molecular weight of 217.03 g/mol. Its IUPAC name is 1-aminopropan-2-yl(oxido)azanium iodide.

Molecular Properties

Compound Name1-aminopropan-2-yl(oxido)azanium iodide
PubChem CID163943882
Molecular FormulaC3H10IN2O-
Molecular Weight217.03 g/mol
Exact Mass216.98
IUPAC Name1-aminopropan-2-yl(oxido)azanium iodide
SMILESCC(CN)[NH2+][O-].[I-]
InChIInChI=1S/C3H10N2O.HI/c1-3(2-4)5-6;/h3H,2,4-5H2,1H3;1H/p-1
InChIKeyLIMGQJIUHIZXTR-UHFFFAOYSA-M
XLogP-4.60
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 5-4.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl(oxido)azanium iodide?
The IUPAC name of 1-aminopropan-2-yl(oxido)azanium iodide (CID 163943882) is 1-aminopropan-2-yl(oxido)azanium iodide.
What is the SMILES notation for 1-aminopropan-2-yl(oxido)azanium iodide?
The canonical SMILES for 1-aminopropan-2-yl(oxido)azanium iodide is CC(CN)[NH2+][O-].[I-].
What is the InChIKey of 1-aminopropan-2-yl(oxido)azanium iodide?
The InChIKey is LIMGQJIUHIZXTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H10N2O.HI/c1-3(2-4)5-6;/h3H,2,4-5H2,1H3;1H/p-1.
What are the key properties of 1-aminopropan-2-yl(oxido)azanium iodide?
1-aminopropan-2-yl(oxido)azanium iodide has a molecular weight of 217.03 g/mol, XLogP of -4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl(oxido)azanium iodide is sourced from PubChem (CID 163943882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).