1-amino-1-morpholin-4-ylethanol

C6H14N2O2 — CID 171037459

IUPAC1-amino-1-morpholin-4-ylethanol
SMILESCC(N)(O)N1CCOCC1
InChIInChI=1S/C6H14N2O2/c1-6(7,9)8-2-4-10-5-3-8/h9H,2-5,7H2,1H3
InChIKeyUFMWQVQHQYQFGR-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.06
Rot. Bonds1

About 1-amino-1-morpholin-4-ylethanol

1-amino-1-morpholin-4-ylethanol (PubChem CID 171037459) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-amino-1-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-amino-1-morpholin-4-ylethanol
PubChem CID171037459
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-amino-1-morpholin-4-ylethanol
SMILESCC(N)(O)N1CCOCC1
InChIInChI=1S/C6H14N2O2/c1-6(7,9)8-2-4-10-5-3-8/h9H,2-5,7H2,1H3
InChIKeyUFMWQVQHQYQFGR-UHFFFAOYSA-N
XLogP-1.06
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-morpholin-4-ylethanol?
The IUPAC name of 1-amino-1-morpholin-4-ylethanol (CID 171037459) is 1-amino-1-morpholin-4-ylethanol.
What is the SMILES notation for 1-amino-1-morpholin-4-ylethanol?
The canonical SMILES for 1-amino-1-morpholin-4-ylethanol is CC(N)(O)N1CCOCC1.
What is the InChIKey of 1-amino-1-morpholin-4-ylethanol?
The InChIKey is UFMWQVQHQYQFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(7,9)8-2-4-10-5-3-8/h9H,2-5,7H2,1H3.
What are the key properties of 1-amino-1-morpholin-4-ylethanol?
1-amino-1-morpholin-4-ylethanol has a molecular weight of 146.19 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-morpholin-4-ylethanol is sourced from PubChem (CID 171037459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).