1-amino-3-(3-tritiopropoxy)propan-2-ol

C6H15NO2 — CID 155793573

IUPAC1-amino-3-(3-tritiopropoxy)propan-2-ol
SMILES[3H]CCCOCC(O)CN
InChIInChI=1S/C6H15NO2/c1-2-3-9-5-6(8)4-7/h6,8H,2-5,7H2,1H3/i1T
InChIKeyAEYVXYOWNDHMAA-CNRUNOGKSA-N
MW135.20 g/mol
LogP-0.27
Rot. Bonds6

About 1-amino-3-(3-tritiopropoxy)propan-2-ol

1-amino-3-(3-tritiopropoxy)propan-2-ol (PubChem CID 155793573) has the molecular formula C6H15NO2 and a molecular weight of 135.20 g/mol. Its IUPAC name is 1-amino-3-(3-tritiopropoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-tritiopropoxy)propan-2-ol
PubChem CID155793573
Molecular FormulaC6H15NO2
Molecular Weight135.20 g/mol
Exact Mass135.12
IUPAC Name1-amino-3-(3-tritiopropoxy)propan-2-ol
SMILES[3H]CCCOCC(O)CN
InChIInChI=1S/C6H15NO2/c1-2-3-9-5-6(8)4-7/h6,8H,2-5,7H2,1H3/i1T
InChIKeyAEYVXYOWNDHMAA-CNRUNOGKSA-N
XLogP-0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-amino-3-(3-tritiopropoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-tritiopropoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3-tritiopropoxy)propan-2-ol (CID 155793573) is 1-amino-3-(3-tritiopropoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-tritiopropoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-tritiopropoxy)propan-2-ol is [3H]CCCOCC(O)CN.
What is the InChIKey of 1-amino-3-(3-tritiopropoxy)propan-2-ol?
The InChIKey is AEYVXYOWNDHMAA-CNRUNOGKSA-N. The full InChI is InChI=1S/C6H15NO2/c1-2-3-9-5-6(8)4-7/h6,8H,2-5,7H2,1H3/i1T.
What are the key properties of 1-amino-3-(3-tritiopropoxy)propan-2-ol?
1-amino-3-(3-tritiopropoxy)propan-2-ol has a molecular weight of 135.20 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-tritiopropoxy)propan-2-ol is sourced from PubChem (CID 155793573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).