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

C4H11N — CID 10534656

IUPAC1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])C(N)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/i1D3,2D3,3D3
InChIKeyYBRBMKDOPFTVDT-GQALSZNTSA-N
MW82.19 g/mol
LogP0.74
Rot. Bonds

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

1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine (PubChem CID 10534656) has the molecular formula C4H11N and a molecular weight of 82.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine
PubChem CID10534656
Molecular FormulaC4H11N
Molecular Weight82.19 g/mol
Exact Mass82.15
IUPAC Name1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])C(N)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/i1D3,2D3,3D3
InChIKeyYBRBMKDOPFTVDT-GQALSZNTSA-N
XLogP0.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine?
The IUPAC name of 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine (CID 10534656) is 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine.
What is the SMILES notation for 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine?
The canonical SMILES for 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine is [2H]C([2H])([2H])C(N)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine?
The InChIKey is YBRBMKDOPFTVDT-GQALSZNTSA-N. The full InChI is InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/i1D3,2D3,3D3.
What are the key properties of 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine?
1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine has a molecular weight of 82.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine is sourced from PubChem (CID 10534656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).