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

Analyze 2-amino-1,1-dideuterio-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3-pentadeuterio-3-deuteriooxy-2-methylpropan-2-amine
CID 131698431
3-amino-3-methylbutan-1-ol
CID 641000
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
2-amino-2-methylpropane-1,3-diol;hydrate
CID 173189946
2-amino-2-methylpropan-1-ol;piperazine
CID 22757519
2,4-diamino-4-methylpentan-2-ol
CID 146969207
2-amino-2-methanidylpropan-1-ol;gold(1+)
CID 88844237
(2S)-2-amino-2,3,3-trimethylbutan-1-ol
CID 45072298
2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
CID 88802194
5-amino-5-methylhexan-1-ol;hydrochloride
CID 172915971
2-amino-2-methylpropan-1-ol;propanoic acid
CID 21404134

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).