2-amino-1,1-dideuteriobutan-1-ol

C4H11NO — CID 71309476

IUPAC2-amino-1,1-dideuteriobutan-1-ol
SMILES[2H]C([2H])(O)C(N)CC
InChIInChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/i3D2
InChIKeyJCBPETKZIGVZRE-SMZGMGDZSA-N
MW91.15 g/mol
LogP-0.28
Rot. Bonds2

About 2-amino-1,1-dideuteriobutan-1-ol

2-amino-1,1-dideuteriobutan-1-ol (PubChem CID 71309476) has the molecular formula C4H11NO and a molecular weight of 91.15 g/mol. Its IUPAC name is 2-amino-1,1-dideuteriobutan-1-ol.

Molecular Properties

Compound Name2-amino-1,1-dideuteriobutan-1-ol
PubChem CID71309476
Molecular FormulaC4H11NO
Molecular Weight91.15 g/mol
Exact Mass91.10
IUPAC Name2-amino-1,1-dideuteriobutan-1-ol
SMILES[2H]C([2H])(O)C(N)CC
InChIInChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/i3D2
InChIKeyJCBPETKZIGVZRE-SMZGMGDZSA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-dideuteriobutan-1-ol?
The IUPAC name of 2-amino-1,1-dideuteriobutan-1-ol (CID 71309476) is 2-amino-1,1-dideuteriobutan-1-ol.
What is the SMILES notation for 2-amino-1,1-dideuteriobutan-1-ol?
The canonical SMILES for 2-amino-1,1-dideuteriobutan-1-ol is [2H]C([2H])(O)C(N)CC.
What is the InChIKey of 2-amino-1,1-dideuteriobutan-1-ol?
The InChIKey is JCBPETKZIGVZRE-SMZGMGDZSA-N. The full InChI is InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/i3D2.
What are the key properties of 2-amino-1,1-dideuteriobutan-1-ol?
2-amino-1,1-dideuteriobutan-1-ol has a molecular weight of 91.15 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-dideuteriobutan-1-ol is sourced from PubChem (CID 71309476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).