azanium 2-methylpropan-1-olate

C4H13NO — CID 3019949

IUPACazanium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[NH4+]
InChIInChI=1S/C4H9O.H3N/c1-4(2)3-5;/h4H,3H2,1-2H3;1H3/q-1;/p+1
InChIKeyFNCUFEPNWRBJSS-UHFFFAOYSA-O
MW91.15 g/mol
LogP0.38
Rot. Bonds1

About azanium 2-methylpropan-1-olate

azanium 2-methylpropan-1-olate (PubChem CID 3019949) has the molecular formula C4H13NO and a molecular weight of 91.15 g/mol. Its IUPAC name is azanium 2-methylpropan-1-olate.

Molecular Properties

Compound Nameazanium 2-methylpropan-1-olate
PubChem CID3019949
Molecular FormulaC4H13NO
Molecular Weight91.15 g/mol
Exact Mass91.10
IUPAC Nameazanium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[NH4+]
InChIInChI=1S/C4H9O.H3N/c1-4(2)3-5;/h4H,3H2,1-2H3;1H3/q-1;/p+1
InChIKeyFNCUFEPNWRBJSS-UHFFFAOYSA-O
XLogP0.38
TPSA59.56 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

O-(2-Methylpropyl)hydroxylamine--hydrogen chloride (1/1)
CID 12696238
O-Isobutylhydroxylamine
CID 536422
O-(2-methylbutyl)hydroxylamine
CID 19968688
O-neopentylhydroxylamine
CID 22013649
O-Isopentylhydroxylamine
CID 536481
2-Methylpropan-1-olate
CID 3594982
CID 5489517
CID 5489517
O-(3-fluoro-2-methylpropyl)hydroxylamine
CID 165614871
2-Methylpropoxyazanium chloride
CID 18966379
1-[Amino(iodo)gallanyl]oxy-2-methylpropane
CID 59818417
Azanium 2,2-dimethylpropan-1-olate
CID 87423473
Azane;1-methoxy-2-methylpropane;hydrochloride
CID 87536113

Frequently Asked Questions

What is the IUPAC name of azanium 2-methylpropan-1-olate?
The IUPAC name of azanium 2-methylpropan-1-olate (CID 3019949) is azanium 2-methylpropan-1-olate.
What is the SMILES notation for azanium 2-methylpropan-1-olate?
The canonical SMILES for azanium 2-methylpropan-1-olate is CC(C)C[O-].[NH4+].
What is the InChIKey of azanium 2-methylpropan-1-olate?
The InChIKey is FNCUFEPNWRBJSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O.H3N/c1-4(2)3-5;/h4H,3H2,1-2H3;1H3/q-1;/p+1.
What are the key properties of azanium 2-methylpropan-1-olate?
azanium 2-methylpropan-1-olate has a molecular weight of 91.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-methylpropan-1-olate is sourced from PubChem (CID 3019949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).