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

C4H12ClNO — CID 57347241

IUPAC(1-hydroxy-2-methylpropan-2-yl)azanium chloride
SMILESCC(C)([NH3+])CO.[Cl-]
InChIInChI=1S/C4H11NO.ClH/c1-4(2,5)3-6;/h6H,3,5H2,1-2H3;1H
InChIKeyPMZIUAOBHNJYQT-UHFFFAOYSA-N
MW125.60 g/mol
LogP-4.00
Rot. Bonds1

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

(1-hydroxy-2-methylpropan-2-yl)azanium chloride (PubChem CID 57347241) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)azanium chloride
PubChem CID57347241
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)azanium chloride
SMILESCC(C)([NH3+])CO.[Cl-]
InChIInChI=1S/C4H11NO.ClH/c1-4(2,5)3-6;/h6H,3,5H2,1-2H3;1H
InChIKeyPMZIUAOBHNJYQT-UHFFFAOYSA-N
XLogP-4.00
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 5-4.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Htris
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2-Amino-2-methyl-1-propanol hydrochloride
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Tris(hydroxymethyl-d3)amino-d2-methane
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2-Amino-2-methylbutan-1-ol
CID 10154017
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CID 14146222
3-Amino-3-methylbutan-2-ol
CID 13319222
Tris(hydroxy-D-methyl)amino-D2-methane, 98 atom % D
CID 16212086
3-Amino-3-methylbutan-2-ol hydrochloride
CID 13319223

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)azanium chloride?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)azanium chloride (CID 57347241) is (1-hydroxy-2-methylpropan-2-yl)azanium chloride.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)azanium chloride?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)azanium chloride is CC(C)([NH3+])CO.[Cl-].
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)azanium chloride?
The InChIKey is PMZIUAOBHNJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-4(2,5)3-6;/h6H,3,5H2,1-2H3;1H.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)azanium chloride?
(1-hydroxy-2-methylpropan-2-yl)azanium chloride has a molecular weight of 125.60 g/mol, XLogP of -4.00, 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 chloride is sourced from PubChem (CID 57347241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).