dihydroxy(propan-2-yl)azanium

C3H10NO2+ — CID 173132056

IUPACdihydroxy(propan-2-yl)azanium
SMILESCC(C)[NH+](O)O
InChIInChI=1S/C3H9NO2/c1-3(2)4(5)6/h3,5-6H,1-2H3/p+1
InChIKeyNPUJCHPIDDPIBL-UHFFFAOYSA-O
MW92.12 g/mol
LogP-0.94
Rot. Bonds1

About dihydroxy(propan-2-yl)azanium

dihydroxy(propan-2-yl)azanium (PubChem CID 173132056) has the molecular formula C3H10NO2+ and a molecular weight of 92.12 g/mol. Its IUPAC name is dihydroxy(propan-2-yl)azanium.

Molecular Properties

Compound Namedihydroxy(propan-2-yl)azanium
PubChem CID173132056
Molecular FormulaC3H10NO2+
Molecular Weight92.12 g/mol
Exact Mass92.07
IUPAC Namedihydroxy(propan-2-yl)azanium
SMILESCC(C)[NH+](O)O
InChIInChI=1S/C3H9NO2/c1-3(2)4(5)6/h3,5-6H,1-2H3/p+1
InChIKeyNPUJCHPIDDPIBL-UHFFFAOYSA-O
XLogP-0.94
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(propan-2-yl)azanium?
The IUPAC name of dihydroxy(propan-2-yl)azanium (CID 173132056) is dihydroxy(propan-2-yl)azanium.
What is the SMILES notation for dihydroxy(propan-2-yl)azanium?
The canonical SMILES for dihydroxy(propan-2-yl)azanium is CC(C)[NH+](O)O.
What is the InChIKey of dihydroxy(propan-2-yl)azanium?
The InChIKey is NPUJCHPIDDPIBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO2/c1-3(2)4(5)6/h3,5-6H,1-2H3/p+1.
What are the key properties of dihydroxy(propan-2-yl)azanium?
dihydroxy(propan-2-yl)azanium has a molecular weight of 92.12 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(propan-2-yl)azanium is sourced from PubChem (CID 173132056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).