1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine

C4H11N — CID 58475030

IUPAC1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine
SMILES[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])N
InChIInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/i1D3,3D2,4D
InChIKeyKDSNLYIMUZNERS-ZZNHVBHDSA-N
MW79.18 g/mol
LogP0.60
Rot. Bonds2

About 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine

1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine (PubChem CID 58475030) has the molecular formula C4H11N and a molecular weight of 79.18 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine.

Molecular Properties

Compound Name1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine
PubChem CID58475030
Molecular FormulaC4H11N
Molecular Weight79.18 g/mol
Exact Mass79.13
IUPAC Name1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine
SMILES[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])N
InChIInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/i1D3,3D2,4D
InChIKeyKDSNLYIMUZNERS-ZZNHVBHDSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine?
The IUPAC name of 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine (CID 58475030) is 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine.
What is the SMILES notation for 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine?
The canonical SMILES for 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine is [2H]C([2H])([2H])C([2H])(C)C([2H])([2H])N.
What is the InChIKey of 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine?
The InChIKey is KDSNLYIMUZNERS-ZZNHVBHDSA-N. The full InChI is InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/i1D3,3D2,4D.
What are the key properties of 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine?
1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine has a molecular weight of 79.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexadeuterio-2-methylpropan-1-amine is sourced from PubChem (CID 58475030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).