2-(2,2-diethoxyethylamino)butan-1-ol

C10H23NO3 — CID 81093420

IUPAC2-(2,2-diethoxyethylamino)butan-1-ol
SMILESCCOC(CNC(CC)CO)OCC
InChIInChI=1S/C10H23NO3/c1-4-9(8-12)11-7-10(13-5-2)14-6-3/h9-12H,4-8H2,1-3H3
InChIKeyIEGYSUSLTRPAKF-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.75
Rot. Bonds9

About 2-(2,2-diethoxyethylamino)butan-1-ol

2-(2,2-diethoxyethylamino)butan-1-ol (PubChem CID 81093420) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2,2-diethoxyethylamino)butan-1-ol
PubChem CID81093420
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-(2,2-diethoxyethylamino)butan-1-ol
SMILESCCOC(CNC(CC)CO)OCC
InChIInChI=1S/C10H23NO3/c1-4-9(8-12)11-7-10(13-5-2)14-6-3/h9-12H,4-8H2,1-3H3
InChIKeyIEGYSUSLTRPAKF-UHFFFAOYSA-N
XLogP0.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.75
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 2-(2,2-diethoxyethylamino)butan-1-ol?
The IUPAC name of 2-(2,2-diethoxyethylamino)butan-1-ol (CID 81093420) is 2-(2,2-diethoxyethylamino)butan-1-ol.
What is the SMILES notation for 2-(2,2-diethoxyethylamino)butan-1-ol?
The canonical SMILES for 2-(2,2-diethoxyethylamino)butan-1-ol is CCOC(CNC(CC)CO)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylamino)butan-1-ol?
The InChIKey is IEGYSUSLTRPAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-4-9(8-12)11-7-10(13-5-2)14-6-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-(2,2-diethoxyethylamino)butan-1-ol?
2-(2,2-diethoxyethylamino)butan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylamino)butan-1-ol is sourced from PubChem (CID 81093420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).