azanium 2,2-dimethylpropan-1-olate

C5H15NO — CID 87423473

IUPACazanium 2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C[O-].[NH4+]
InChIInChI=1S/C5H11O.H3N/c1-5(2,3)4-6;/h4H2,1-3H3;1H3/q-1;/p+1
InChIKeyFDJQTJUSFYSVSA-UHFFFAOYSA-O
MW105.18 g/mol
LogP0.77
Rot. Bonds

About azanium 2,2-dimethylpropan-1-olate

azanium 2,2-dimethylpropan-1-olate (PubChem CID 87423473) has the molecular formula C5H15NO and a molecular weight of 105.18 g/mol. Its IUPAC name is azanium 2,2-dimethylpropan-1-olate.

Molecular Properties

Compound Nameazanium 2,2-dimethylpropan-1-olate
PubChem CID87423473
Molecular FormulaC5H15NO
Molecular Weight105.18 g/mol
Exact Mass105.12
IUPAC Nameazanium 2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C[O-].[NH4+]
InChIInChI=1S/C5H11O.H3N/c1-5(2,3)4-6;/h4H2,1-3H3;1H3/q-1;/p+1
InChIKeyFDJQTJUSFYSVSA-UHFFFAOYSA-O
XLogP0.77
TPSA59.56 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azanium 2,2-dimethylpropan-1-olate?
The IUPAC name of azanium 2,2-dimethylpropan-1-olate (CID 87423473) is azanium 2,2-dimethylpropan-1-olate.
What is the SMILES notation for azanium 2,2-dimethylpropan-1-olate?
The canonical SMILES for azanium 2,2-dimethylpropan-1-olate is CC(C)(C)C[O-].[NH4+].
What is the InChIKey of azanium 2,2-dimethylpropan-1-olate?
The InChIKey is FDJQTJUSFYSVSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11O.H3N/c1-5(2,3)4-6;/h4H2,1-3H3;1H3/q-1;/p+1.
What are the key properties of azanium 2,2-dimethylpropan-1-olate?
azanium 2,2-dimethylpropan-1-olate has a molecular weight of 105.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,2-dimethylpropan-1-olate is sourced from PubChem (CID 87423473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).