(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride

C6H16ClNO — CID 165448947

IUPAC(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
SMILESC[C@@H](CO)CN(C)C.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(5-8)4-7(2)3;/h6,8H,4-5H2,1-3H3;1H/t6-;/m1./s1
InChIKeyVTKDSUPSWZCILV-FYZOBXCZSA-N
MW153.65 g/mol
LogP0.60
Rot. Bonds3

About (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride

(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride (PubChem CID 165448947) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
PubChem CID165448947
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
SMILESC[C@@H](CO)CN(C)C.Cl
InChIInChI=1S/C6H15NO.ClH/c1-6(5-8)4-7(2)3;/h6,8H,4-5H2,1-3H3;1H/t6-;/m1./s1
InChIKeyVTKDSUPSWZCILV-FYZOBXCZSA-N
XLogP0.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride (CID 165448947) is (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride is C[C@@H](CO)CN(C)C.Cl.
What is the InChIKey of (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride?
The InChIKey is VTKDSUPSWZCILV-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c1-6(5-8)4-7(2)3;/h6,8H,4-5H2,1-3H3;1H/t6-;/m1./s1.
What are the key properties of (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride?
(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 165448947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).