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

C8H17NO2 — CID 54351809

IUPAC1-(ethylamino)hex-4-ene-2,3-diol
SMILESCC=CC(O)C(O)CNCC
InChIInChI=1S/C8H17NO2/c1-3-5-7(10)8(11)6-9-4-2/h3,5,7-11H,4,6H2,1-2H3
InChIKeyUGHBXTZPLCSLTO-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.11
Rot. Bonds5

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

1-(ethylamino)hex-4-ene-2,3-diol (PubChem CID 54351809) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(ethylamino)hex-4-ene-2,3-diol.

Molecular Properties

Compound Name1-(ethylamino)hex-4-ene-2,3-diol
PubChem CID54351809
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(ethylamino)hex-4-ene-2,3-diol
SMILESCC=CC(O)C(O)CNCC
InChIInChI=1S/C8H17NO2/c1-3-5-7(10)8(11)6-9-4-2/h3,5,7-11H,4,6H2,1-2H3
InChIKeyUGHBXTZPLCSLTO-UHFFFAOYSA-N
XLogP-0.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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-(ethylamino)hex-4-ene-2,3-diol?
The IUPAC name of 1-(ethylamino)hex-4-ene-2,3-diol (CID 54351809) is 1-(ethylamino)hex-4-ene-2,3-diol.
What is the SMILES notation for 1-(ethylamino)hex-4-ene-2,3-diol?
The canonical SMILES for 1-(ethylamino)hex-4-ene-2,3-diol is CC=CC(O)C(O)CNCC.
What is the InChIKey of 1-(ethylamino)hex-4-ene-2,3-diol?
The InChIKey is UGHBXTZPLCSLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-7(10)8(11)6-9-4-2/h3,5,7-11H,4,6H2,1-2H3.
What are the key properties of 1-(ethylamino)hex-4-ene-2,3-diol?
1-(ethylamino)hex-4-ene-2,3-diol has a molecular weight of 159.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)hex-4-ene-2,3-diol is sourced from PubChem (CID 54351809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).