1-(diethylamino)hex-4-ene-2,3-diol

C10H21NO2 — CID 54552010

IUPAC1-(diethylamino)hex-4-ene-2,3-diol
SMILESCC=CC(O)C(O)CN(CC)CC
InChIInChI=1S/C10H21NO2/c1-4-7-9(12)10(13)8-11(5-2)6-3/h4,7,9-10,12-13H,5-6,8H2,1-3H3
InChIKeyZKOCWAOGPXYCIK-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.63
Rot. Bonds6

About 1-(diethylamino)hex-4-ene-2,3-diol

1-(diethylamino)hex-4-ene-2,3-diol (PubChem CID 54552010) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(diethylamino)hex-4-ene-2,3-diol.

Molecular Properties

Compound Name1-(diethylamino)hex-4-ene-2,3-diol
PubChem CID54552010
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(diethylamino)hex-4-ene-2,3-diol
SMILESCC=CC(O)C(O)CN(CC)CC
InChIInChI=1S/C10H21NO2/c1-4-7-9(12)10(13)8-11(5-2)6-3/h4,7,9-10,12-13H,5-6,8H2,1-3H3
InChIKeyZKOCWAOGPXYCIK-UHFFFAOYSA-N
XLogP0.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)hex-4-ene-2,3-diol?
The IUPAC name of 1-(diethylamino)hex-4-ene-2,3-diol (CID 54552010) is 1-(diethylamino)hex-4-ene-2,3-diol.
What is the SMILES notation for 1-(diethylamino)hex-4-ene-2,3-diol?
The canonical SMILES for 1-(diethylamino)hex-4-ene-2,3-diol is CC=CC(O)C(O)CN(CC)CC.
What is the InChIKey of 1-(diethylamino)hex-4-ene-2,3-diol?
The InChIKey is ZKOCWAOGPXYCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7-9(12)10(13)8-11(5-2)6-3/h4,7,9-10,12-13H,5-6,8H2,1-3H3.
What are the key properties of 1-(diethylamino)hex-4-ene-2,3-diol?
1-(diethylamino)hex-4-ene-2,3-diol has a molecular weight of 187.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)hex-4-ene-2,3-diol is sourced from PubChem (CID 54552010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).