2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol

C4H11NO — CID 46780311

IUPAC2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol
SMILES[2H]C([2H])([2H])C(N)(CO)C([2H])([2H])[2H]
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i1D3,2D3
InChIKeyCBTVGIZVANVGBH-WFGJKAKNSA-N
MW95.17 g/mol
LogP-0.28
Rot. Bonds3

About 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol

2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol (PubChem CID 46780311) has the molecular formula C4H11NO and a molecular weight of 95.17 g/mol. Its IUPAC name is 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol
PubChem CID46780311
Molecular FormulaC4H11NO
Molecular Weight95.17 g/mol
Exact Mass95.12
IUPAC Name2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol
SMILES[2H]C([2H])([2H])C(N)(CO)C([2H])([2H])[2H]
InChIInChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i1D3,2D3
InChIKeyCBTVGIZVANVGBH-WFGJKAKNSA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6503
2-Amino-2-methyl-1-propanol
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2-Amino-2-methyl-1,3-propanediol
CID 1531
2-Amino-2-ethyl-1,3-propanediol
CID 8282
Htris
CID 3777159
2-Amino-2-methyl-1-propanol hydrochloride
CID 76673
3-Amino-3-methylbutan-1-ol
CID 641000
Tris(hydroxymethyl-d3)amino-d2-methane
CID 16212934
2-Amino-2-methylbutan-1-ol
CID 10154017
(1-Aminocyclopropyl)methanol
CID 14146220
3-Amino-3-methylbutan-2-ol
CID 13319222

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol?
The IUPAC name of 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol (CID 46780311) is 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol.
What is the SMILES notation for 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol?
The canonical SMILES for 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol is [2H]C([2H])([2H])C(N)(CO)C([2H])([2H])[2H].
What is the InChIKey of 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol?
The InChIKey is CBTVGIZVANVGBH-WFGJKAKNSA-N. The full InChI is InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3/i1D3,2D3.
What are the key properties of 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol?
2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol has a molecular weight of 95.17 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propan-1-ol is sourced from PubChem (CID 46780311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).