1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine

C3H10N2 — CID 54466908

IUPAC1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
SMILES[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/i1D2,2D2,3D2
InChIKeyXFNJVJPLKCPIBV-NMFSSPJFSA-N
MW80.16 g/mol
LogP-0.71
Rot. Bonds2

About 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine

1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine (PubChem CID 54466908) has the molecular formula C3H10N2 and a molecular weight of 80.16 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine.

Molecular Properties

Compound Name1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
PubChem CID54466908
Molecular FormulaC3H10N2
Molecular Weight80.16 g/mol
Exact Mass80.12
IUPAC Name1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine
SMILES[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/i1D2,2D2,3D2
InChIKeyXFNJVJPLKCPIBV-NMFSSPJFSA-N
XLogP-0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
The IUPAC name of 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine (CID 54466908) is 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine.
What is the SMILES notation for 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
The canonical SMILES for 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine is [2H]C([2H])(N)C([2H])([2H])C([2H])([2H])N.
What is the InChIKey of 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
The InChIKey is XFNJVJPLKCPIBV-NMFSSPJFSA-N. The full InChI is InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/i1D2,2D2,3D2.
What are the key properties of 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine?
1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine has a molecular weight of 80.16 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexadeuteriopropane-1,3-diamine is sourced from PubChem (CID 54466908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).