2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine

C5H12N2 — CID 177268871

IUPAC2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine
SMILES[2H]C1([2H])NC([2H])([2H])C1N(C)C
InChIInChI=1S/C5H12N2/c1-7(2)5-3-6-4-5/h5-6H,3-4H2,1-2H3/i3D2,4D2
InChIKeyIRQWCOFOSMREBQ-KHORGVISSA-N
MW104.19 g/mol
LogP-0.48
Rot. Bonds1

About 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine

2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine (PubChem CID 177268871) has the molecular formula C5H12N2 and a molecular weight of 104.19 g/mol. Its IUPAC name is 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine
PubChem CID177268871
Molecular FormulaC5H12N2
Molecular Weight104.19 g/mol
Exact Mass104.13
IUPAC Name2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine
SMILES[2H]C1([2H])NC([2H])([2H])C1N(C)C
InChIInChI=1S/C5H12N2/c1-7(2)5-3-6-4-5/h5-6H,3-4H2,1-2H3/i3D2,4D2
InChIKeyIRQWCOFOSMREBQ-KHORGVISSA-N
XLogP-0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine?
The IUPAC name of 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine (CID 177268871) is 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine is [2H]C1([2H])NC([2H])([2H])C1N(C)C.
What is the InChIKey of 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine?
The InChIKey is IRQWCOFOSMREBQ-KHORGVISSA-N. The full InChI is InChI=1S/C5H12N2/c1-7(2)5-3-6-4-5/h5-6H,3-4H2,1-2H3/i3D2,4D2.
What are the key properties of 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine?
2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine has a molecular weight of 104.19 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetradeuterio-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 177268871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).