1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine

C4H11N — CID 13000365

IUPAC1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine
SMILES[2H]C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyHPNMFZURTQLUMO-MWUKXHIBSA-N
MW83.20 g/mol
LogP0.62
Rot. Bonds4

About 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine

1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine (PubChem CID 13000365) has the molecular formula C4H11N and a molecular weight of 83.20 g/mol. Its IUPAC name is 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine.

Molecular Properties

Compound Name1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine
PubChem CID13000365
Molecular FormulaC4H11N
Molecular Weight83.20 g/mol
Exact Mass83.15
IUPAC Name1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine
SMILES[2H]C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyHPNMFZURTQLUMO-MWUKXHIBSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine?
The IUPAC name of 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine (CID 13000365) is 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine.
What is the SMILES notation for 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine?
The canonical SMILES for 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine is [2H]C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine?
The InChIKey is HPNMFZURTQLUMO-MWUKXHIBSA-N. The full InChI is InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2.
What are the key properties of 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine?
1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine has a molecular weight of 83.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine is sourced from PubChem (CID 13000365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).