2,2,6,6-tetradeuteriooxan-4-amine

C5H11NO — CID 168795435

IUPAC2,2,6,6-tetradeuteriooxan-4-amine
SMILES[2H]C1([2H])CC(N)CC([2H])([2H])O1
InChIInChI=1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2/i3D2,4D2
InChIKeyAHVQYHFYQWKUKB-KHORGVISSA-N
MW105.17 g/mol
LogP0.12
Rot. Bonds

About 2,2,6,6-tetradeuteriooxan-4-amine

2,2,6,6-tetradeuteriooxan-4-amine (PubChem CID 168795435) has the molecular formula C5H11NO and a molecular weight of 105.17 g/mol. Its IUPAC name is 2,2,6,6-tetradeuteriooxan-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetradeuteriooxan-4-amine
PubChem CID168795435
Molecular FormulaC5H11NO
Molecular Weight105.17 g/mol
Exact Mass105.11
IUPAC Name2,2,6,6-tetradeuteriooxan-4-amine
SMILES[2H]C1([2H])CC(N)CC([2H])([2H])O1
InChIInChI=1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2/i3D2,4D2
InChIKeyAHVQYHFYQWKUKB-KHORGVISSA-N
XLogP0.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetradeuteriooxan-4-amine?
The IUPAC name of 2,2,6,6-tetradeuteriooxan-4-amine (CID 168795435) is 2,2,6,6-tetradeuteriooxan-4-amine.
What is the SMILES notation for 2,2,6,6-tetradeuteriooxan-4-amine?
The canonical SMILES for 2,2,6,6-tetradeuteriooxan-4-amine is [2H]C1([2H])CC(N)CC([2H])([2H])O1.
What is the InChIKey of 2,2,6,6-tetradeuteriooxan-4-amine?
The InChIKey is AHVQYHFYQWKUKB-KHORGVISSA-N. The full InChI is InChI=1S/C5H11NO/c6-5-1-3-7-4-2-5/h5H,1-4,6H2/i3D2,4D2.
What are the key properties of 2,2,6,6-tetradeuteriooxan-4-amine?
2,2,6,6-tetradeuteriooxan-4-amine has a molecular weight of 105.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetradeuteriooxan-4-amine is sourced from PubChem (CID 168795435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).