alumane;2-aminopropan-2-ol

C3H12AlNO — CID 175409057

IUPACalumane;2-aminopropan-2-ol
SMILESCC(C)(N)O.[AlH3]
InChIInChI=1S/C3H9NO.Al.3H/c1-3(2,4)5;;;;/h5H,4H2,1-2H3;;;;
InChIKeyVBRYMHKQPBBQJF-UHFFFAOYSA-N
MW105.12 g/mol
LogP-1.51
Rot. Bonds

About alumane;2-aminopropan-2-ol

alumane;2-aminopropan-2-ol (PubChem CID 175409057) has the molecular formula C3H12AlNO and a molecular weight of 105.12 g/mol. Its IUPAC name is alumane;2-aminopropan-2-ol.

Molecular Properties

Compound Namealumane;2-aminopropan-2-ol
PubChem CID175409057
Molecular FormulaC3H12AlNO
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC Namealumane;2-aminopropan-2-ol
SMILESCC(C)(N)O.[AlH3]
InChIInChI=1S/C3H9NO.Al.3H/c1-3(2,4)5;;;;/h5H,4H2,1-2H3;;;;
InChIKeyVBRYMHKQPBBQJF-UHFFFAOYSA-N
XLogP-1.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;2-aminopropan-2-ol?
The IUPAC name of alumane;2-aminopropan-2-ol (CID 175409057) is alumane;2-aminopropan-2-ol.
What is the SMILES notation for alumane;2-aminopropan-2-ol?
The canonical SMILES for alumane;2-aminopropan-2-ol is CC(C)(N)O.[AlH3].
What is the InChIKey of alumane;2-aminopropan-2-ol?
The InChIKey is VBRYMHKQPBBQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.Al.3H/c1-3(2,4)5;;;;/h5H,4H2,1-2H3;;;;.
What are the key properties of alumane;2-aminopropan-2-ol?
alumane;2-aminopropan-2-ol has a molecular weight of 105.12 g/mol, XLogP of -1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-aminopropan-2-ol is sourced from PubChem (CID 175409057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).