acetic acid;2-(dibutylamino)ethanol

C12H27NO3 — CID 21443790

IUPACacetic acid;2-(dibutylamino)ethanol
SMILESCC(=O)O.CCCCN(CCO)CCCC
InChIInChI=1S/C10H23NO.C2H4O2/c1-3-5-7-11(9-10-12)8-6-4-2;1-2(3)4/h12H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKeyZZXYBVFEQUTZPZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.97
Rot. Bonds8

About acetic acid;2-(dibutylamino)ethanol

acetic acid;2-(dibutylamino)ethanol (PubChem CID 21443790) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is acetic acid;2-(dibutylamino)ethanol.

Molecular Properties

Compound Nameacetic acid;2-(dibutylamino)ethanol
PubChem CID21443790
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Nameacetic acid;2-(dibutylamino)ethanol
SMILESCC(=O)O.CCCCN(CCO)CCCC
InChIInChI=1S/C10H23NO.C2H4O2/c1-3-5-7-11(9-10-12)8-6-4-2;1-2(3)4/h12H,3-10H2,1-2H3;1H3,(H,3,4)
InChIKeyZZXYBVFEQUTZPZ-UHFFFAOYSA-N
XLogP1.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(dibutylamino)ethanol?
The IUPAC name of acetic acid;2-(dibutylamino)ethanol (CID 21443790) is acetic acid;2-(dibutylamino)ethanol.
What is the SMILES notation for acetic acid;2-(dibutylamino)ethanol?
The canonical SMILES for acetic acid;2-(dibutylamino)ethanol is CC(=O)O.CCCCN(CCO)CCCC.
What is the InChIKey of acetic acid;2-(dibutylamino)ethanol?
The InChIKey is ZZXYBVFEQUTZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.C2H4O2/c1-3-5-7-11(9-10-12)8-6-4-2;1-2(3)4/h12H,3-10H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(dibutylamino)ethanol?
acetic acid;2-(dibutylamino)ethanol has a molecular weight of 233.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(dibutylamino)ethanol is sourced from PubChem (CID 21443790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).