1-amino-4,4-diethoxybutane-1,1-diol

C8H19NO4 — CID 143659867

IUPAC1-amino-4,4-diethoxybutane-1,1-diol
SMILESCCOC(CCC(N)(O)O)OCC
InChIInChI=1S/C8H19NO4/c1-3-12-7(13-4-2)5-6-8(9,10)11/h7,10-11H,3-6,9H2,1-2H3
InChIKeyWUGVUAUEKCPQOH-UHFFFAOYSA-N
MW193.24 g/mol
LogP-0.24
Rot. Bonds7

About 1-amino-4,4-diethoxybutane-1,1-diol

1-amino-4,4-diethoxybutane-1,1-diol (PubChem CID 143659867) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-amino-4,4-diethoxybutane-1,1-diol.

Molecular Properties

Compound Name1-amino-4,4-diethoxybutane-1,1-diol
PubChem CID143659867
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-amino-4,4-diethoxybutane-1,1-diol
SMILESCCOC(CCC(N)(O)O)OCC
InChIInChI=1S/C8H19NO4/c1-3-12-7(13-4-2)5-6-8(9,10)11/h7,10-11H,3-6,9H2,1-2H3
InChIKeyWUGVUAUEKCPQOH-UHFFFAOYSA-N
XLogP-0.24
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4,4-diethoxybutane-1,1-diol?
The IUPAC name of 1-amino-4,4-diethoxybutane-1,1-diol (CID 143659867) is 1-amino-4,4-diethoxybutane-1,1-diol.
What is the SMILES notation for 1-amino-4,4-diethoxybutane-1,1-diol?
The canonical SMILES for 1-amino-4,4-diethoxybutane-1,1-diol is CCOC(CCC(N)(O)O)OCC.
What is the InChIKey of 1-amino-4,4-diethoxybutane-1,1-diol?
The InChIKey is WUGVUAUEKCPQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4/c1-3-12-7(13-4-2)5-6-8(9,10)11/h7,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-amino-4,4-diethoxybutane-1,1-diol?
1-amino-4,4-diethoxybutane-1,1-diol has a molecular weight of 193.24 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-diethoxybutane-1,1-diol is sourced from PubChem (CID 143659867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).