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

C3H10N2 — CID 46781228

IUPAC1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine
SMILES[2H]C([2H])([2H])C([2H])(N)C([2H])([2H])N
InChIInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3/i1D3,2D2,3D
InChIKeyAOHJOMMDDJHIJH-LIDOUZCJSA-N
MW80.16 g/mol
LogP-0.71
Rot. Bonds2

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

1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine (PubChem CID 46781228) has the molecular formula C3H10N2 and a molecular weight of 80.16 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine.

Molecular Properties

Compound Name1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine
PubChem CID46781228
Molecular FormulaC3H10N2
Molecular Weight80.16 g/mol
Exact Mass80.12
IUPAC Name1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine
SMILES[2H]C([2H])([2H])C([2H])(N)C([2H])([2H])N
InChIInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3/i1D3,2D2,3D
InChIKeyAOHJOMMDDJHIJH-LIDOUZCJSA-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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Related Compounds

Sec-Butylamine
CID 24874
Isopropylamine
CID 6363
Propylenediamine
CID 6567
2-Butanamine, (S)-
CID 6713753
(R)-sec-butylamine
CID 2724537
1,2-Diaminopropane, (S)-
CID 642322
2-Propanamine, hydrochloride (1:1)
CID 6432137
Isopropylaminium
CID 3364502
2,3-Butanediamine
CID 136362
Isopropylammonium chloride
CID 27399
1,2,3-Triaminopropane
CID 432418
(2R)-propane-1,2-diamine dihydrochloride
CID 12217444

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine?
The IUPAC name of 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine (CID 46781228) is 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine.
What is the SMILES notation for 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine?
The canonical SMILES for 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine is [2H]C([2H])([2H])C([2H])(N)C([2H])([2H])N.
What is the InChIKey of 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine?
The InChIKey is AOHJOMMDDJHIJH-LIDOUZCJSA-N. The full InChI is InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3/i1D3,2D2,3D.
What are the key properties of 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine?
1,1,2,3,3,3-hexadeuteriopropane-1,2-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 1,1,2,3,3,3-hexadeuteriopropane-1,2-diamine is sourced from PubChem (CID 46781228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).