(1-hydroxy-2-methylpropan-2-yl)azanium

C4H12NO+ — CID 4689313

IUPAC(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)([NH3+])CO
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/p+1
InChIKeyCBTVGIZVANVGBH-UHFFFAOYSA-O
MW90.15 g/mol
LogP-1.00
Rot. Bonds1

About (1-hydroxy-2-methylpropan-2-yl)azanium

(1-hydroxy-2-methylpropan-2-yl)azanium (PubChem CID 4689313) has the molecular formula C4H12NO+ and a molecular weight of 90.15 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)azanium.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)azanium
PubChem CID4689313
Molecular FormulaC4H12NO+
Molecular Weight90.15 g/mol
Exact Mass90.09
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)azanium
SMILESCC(C)([NH3+])CO
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/p+1
InChIKeyCBTVGIZVANVGBH-UHFFFAOYSA-O
XLogP-1.00
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)azanium?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)azanium (CID 4689313) is (1-hydroxy-2-methylpropan-2-yl)azanium.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)azanium?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)azanium is CC(C)([NH3+])CO.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)azanium?
The InChIKey is CBTVGIZVANVGBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/p+1.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)azanium?
(1-hydroxy-2-methylpropan-2-yl)azanium has a molecular weight of 90.15 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)azanium is sourced from PubChem (CID 4689313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).