(1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide

C5H15INO+ — CID 126957355

IUPAC(1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide
SMILESC[NH2+]C(C)(C)CO.I
InChIInChI=1S/C5H13NO.HI/c1-5(2,4-7)6-3;/h6-7H,4H2,1-3H3;1H/p+1
InChIKeyRVLCZYDOPLQALH-UHFFFAOYSA-O
MW232.08 g/mol
LogP-0.43
Rot. Bonds2

About (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide

(1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide (PubChem CID 126957355) has the molecular formula C5H15INO+ and a molecular weight of 232.08 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide
PubChem CID126957355
Molecular FormulaC5H15INO+
Molecular Weight232.08 g/mol
Exact Mass232.02
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide
SMILESC[NH2+]C(C)(C)CO.I
InChIInChI=1S/C5H13NO.HI/c1-5(2,4-7)6-3;/h6-7H,4H2,1-3H3;1H/p+1
InChIKeyRVLCZYDOPLQALH-UHFFFAOYSA-O
XLogP-0.43
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 7004670
alumane;2,2-dimethylpropan-1-ol
CID 174479314
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
2,2-di(methyl)propan-1-ol
CID 135993184
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
CID 87364467
CID 87364467
(2S,3S)-2,3-dimethylbutane-1,2,3,4-tetrol
CID 130718714
2,3-dimethylbutane-1,2,3,4-tetrol
CID 130147728

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide (CID 126957355) is (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide is C[NH2+]C(C)(C)CO.I.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide?
The InChIKey is RVLCZYDOPLQALH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO.HI/c1-5(2,4-7)6-3;/h6-7H,4H2,1-3H3;1H/p+1.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide?
(1-hydroxy-2-methylpropan-2-yl)-methylazanium;hydroiodide has a molecular weight of 232.08 g/mol, XLogP of -0.43, 2 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)-methylazanium;hydroiodide is sourced from PubChem (CID 126957355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).