oxaluminan-2-amine

C4H10AlNO — CID 87064919

IUPACoxaluminan-2-amine
SMILESN[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.H2N/c1-2-3-4-5;;/h1-4H2;;1H2/q-1;+2;-1
InChIKeyZANKSBAUPYYLKV-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.24
Rot. Bonds

About oxaluminan-2-amine

oxaluminan-2-amine (PubChem CID 87064919) has the molecular formula C4H10AlNO and a molecular weight of 115.11 g/mol. Its IUPAC name is oxaluminan-2-amine.

Molecular Properties

Compound Nameoxaluminan-2-amine
PubChem CID87064919
Molecular FormulaC4H10AlNO
Molecular Weight115.11 g/mol
Exact Mass115.06
IUPAC Nameoxaluminan-2-amine
SMILESN[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.H2N/c1-2-3-4-5;;/h1-4H2;;1H2/q-1;+2;-1
InChIKeyZANKSBAUPYYLKV-UHFFFAOYSA-N
XLogP0.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxaluminan-2-amine?
The IUPAC name of oxaluminan-2-amine (CID 87064919) is oxaluminan-2-amine.
What is the SMILES notation for oxaluminan-2-amine?
The canonical SMILES for oxaluminan-2-amine is N[Al]1CCCCO1.
What is the InChIKey of oxaluminan-2-amine?
The InChIKey is ZANKSBAUPYYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Al.H2N/c1-2-3-4-5;;/h1-4H2;;1H2/q-1;+2;-1.
What are the key properties of oxaluminan-2-amine?
oxaluminan-2-amine has a molecular weight of 115.11 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxaluminan-2-amine is sourced from PubChem (CID 87064919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).