2-amino-1,1-dideuterio-2-methylpropan-1-ol

C4H11NO — CID 140648531

IUPAC2-amino-1,1-dideuterio-2-methylpropan-1-ol
SMILES[2H]C([2H])(O)C(C)(C)N
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i3D2
InChIKeyCBTVGIZVANVGBH-SMZGMGDZSA-N
MW91.15 g/mol
LogP-0.28
Rot. Bonds1

About 2-amino-1,1-dideuterio-2-methylpropan-1-ol

2-amino-1,1-dideuterio-2-methylpropan-1-ol (PubChem CID 140648531) has the molecular formula C4H11NO and a molecular weight of 91.15 g/mol. Its IUPAC name is 2-amino-1,1-dideuterio-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1,1-dideuterio-2-methylpropan-1-ol
PubChem CID140648531
Molecular FormulaC4H11NO
Molecular Weight91.15 g/mol
Exact Mass91.10
IUPAC Name2-amino-1,1-dideuterio-2-methylpropan-1-ol
SMILES[2H]C([2H])(O)C(C)(C)N
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i3D2
InChIKeyCBTVGIZVANVGBH-SMZGMGDZSA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-dideuterio-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1,1-dideuterio-2-methylpropan-1-ol (CID 140648531) is 2-amino-1,1-dideuterio-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1,1-dideuterio-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1,1-dideuterio-2-methylpropan-1-ol is [2H]C([2H])(O)C(C)(C)N.
What is the InChIKey of 2-amino-1,1-dideuterio-2-methylpropan-1-ol?
The InChIKey is CBTVGIZVANVGBH-SMZGMGDZSA-N. The full InChI is InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i3D2.
What are the key properties of 2-amino-1,1-dideuterio-2-methylpropan-1-ol?
2-amino-1,1-dideuterio-2-methylpropan-1-ol has a molecular weight of 91.15 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-dideuterio-2-methylpropan-1-ol is sourced from PubChem (CID 140648531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).