1,1,1-trideuterio-N-(trideuteriomethyl)methanamine

C2H7N — CID 11819887

IUPAC1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
SMILES[2H]C([2H])([2H])NC([2H])([2H])[2H]
InChIInChI=1S/C2H7N/c1-3-2/h3H,1-2H3/i1D3,2D3
InChIKeyROSDSFDQCJNGOL-WFGJKAKNSA-N
MW51.12 g/mol
LogP-0.16
Rot. Bonds2

About 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine

1,1,1-trideuterio-N-(trideuteriomethyl)methanamine (PubChem CID 11819887) has the molecular formula C2H7N and a molecular weight of 51.12 g/mol. Its IUPAC name is 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine.

Molecular Properties

Compound Name1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
PubChem CID11819887
Molecular FormulaC2H7N
Molecular Weight51.12 g/mol
Exact Mass51.10
IUPAC Name1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
SMILES[2H]C([2H])([2H])NC([2H])([2H])[2H]
InChIInChI=1S/C2H7N/c1-3-2/h3H,1-2H3/i1D3,2D3
InChIKeyROSDSFDQCJNGOL-WFGJKAKNSA-N
XLogP-0.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50051.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
The IUPAC name of 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine (CID 11819887) is 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine.
What is the SMILES notation for 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
The canonical SMILES for 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine is [2H]C([2H])([2H])NC([2H])([2H])[2H].
What is the InChIKey of 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
The InChIKey is ROSDSFDQCJNGOL-WFGJKAKNSA-N. The full InChI is InChI=1S/C2H7N/c1-3-2/h3H,1-2H3/i1D3,2D3.
What are the key properties of 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
1,1,1-trideuterio-N-(trideuteriomethyl)methanamine has a molecular weight of 51.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trideuterio-N-(trideuteriomethyl)methanamine is sourced from PubChem (CID 11819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).