2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine

C4H11N — CID 59317346

IUPAC2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])C([2H])(CN)C([2H])([2H])[2H]
InChIInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/i1D3,2D3,4D
InChIKeyKDSNLYIMUZNERS-UAVYNJCWSA-N
MW80.18 g/mol
LogP0.60
Rot. Bonds3

About 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine

2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine (PubChem CID 59317346) has the molecular formula C4H11N and a molecular weight of 80.18 g/mol. Its IUPAC name is 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine
PubChem CID59317346
Molecular FormulaC4H11N
Molecular Weight80.18 g/mol
Exact Mass80.13
IUPAC Name2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])C([2H])(CN)C([2H])([2H])[2H]
InChIInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/i1D3,2D3,4D
InChIKeyKDSNLYIMUZNERS-UAVYNJCWSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine?
The IUPAC name of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine (CID 59317346) is 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine.
What is the SMILES notation for 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine?
The canonical SMILES for 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine is [2H]C([2H])([2H])C([2H])(CN)C([2H])([2H])[2H].
What is the InChIKey of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine?
The InChIKey is KDSNLYIMUZNERS-UAVYNJCWSA-N. The full InChI is InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/i1D3,2D3,4D.
What are the key properties of 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine?
2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine has a molecular weight of 80.18 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propan-1-amine is sourced from PubChem (CID 59317346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).