1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride

C2H10Cl2N2 — CID 71309221

IUPAC1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.[2H]C([2H])(N)C([2H])([2H])N
InChIInChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i1D2,2D2;;
InChIKeyOHHBFEVZJLBKEH-RIZDZYNXSA-N
MW137.05 g/mol
LogP-0.25
Rot. Bonds1

About 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride

1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride (PubChem CID 71309221) has the molecular formula C2H10Cl2N2 and a molecular weight of 137.05 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride
PubChem CID71309221
Molecular FormulaC2H10Cl2N2
Molecular Weight137.05 g/mol
Exact Mass136.05
IUPAC Name1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.[2H]C([2H])(N)C([2H])([2H])N
InChIInChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i1D2,2D2;;
InChIKeyOHHBFEVZJLBKEH-RIZDZYNXSA-N
XLogP-0.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.05
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride?
The IUPAC name of 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride (CID 71309221) is 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride is Cl.Cl.[2H]C([2H])(N)C([2H])([2H])N.
What is the InChIKey of 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride?
The InChIKey is OHHBFEVZJLBKEH-RIZDZYNXSA-N. The full InChI is InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i1D2,2D2;;.
What are the key properties of 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride?
1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride has a molecular weight of 137.05 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 71309221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).