1,1,2,2,3,3,3-heptadeuteriopropan-1-amine

C3H9N — CID 59248895

IUPAC1,1,2,2,3,3,3-heptadeuteriopropan-1-amine
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3/i1D3,2D2,3D2
InChIKeyWGYKZJWCGVVSQN-NCKGIQLSSA-N
MW66.15 g/mol
LogP0.36
Rot. Bonds2

About 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine

1,1,2,2,3,3,3-heptadeuteriopropan-1-amine (PubChem CID 59248895) has the molecular formula C3H9N and a molecular weight of 66.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptadeuteriopropan-1-amine
PubChem CID59248895
Molecular FormulaC3H9N
Molecular Weight66.15 g/mol
Exact Mass66.12
IUPAC Name1,1,2,2,3,3,3-heptadeuteriopropan-1-amine
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N
InChIInChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3/i1D3,2D2,3D2
InChIKeyWGYKZJWCGVVSQN-NCKGIQLSSA-N
XLogP0.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine?
The IUPAC name of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine (CID 59248895) is 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N.
What is the InChIKey of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine?
The InChIKey is WGYKZJWCGVVSQN-NCKGIQLSSA-N. The full InChI is InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3/i1D3,2D2,3D2.
What are the key properties of 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine?
1,1,2,2,3,3,3-heptadeuteriopropan-1-amine has a molecular weight of 66.15 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptadeuteriopropan-1-amine is sourced from PubChem (CID 59248895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).