(2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol

C10H17NO — CID 144794263

IUPAC(2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C(/C=C\C)NCC
InChIInChI=1S/C10H17NO/c1-4-7-9(11-6-3)10(12)8-5-2/h4-5,7-8,11-12H,6H2,1-3H3/b7-4-,8-5-,10-9-
InChIKeyJVVFVPDFMCZIGM-NOHNPUCESA-N
MW167.25 g/mol
LogP2.52
Rot. Bonds4

About (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol

(2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol (PubChem CID 144794263) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol.

Molecular Properties

Compound Name(2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol
PubChem CID144794263
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C(/C=C\C)NCC
InChIInChI=1S/C10H17NO/c1-4-7-9(11-6-3)10(12)8-5-2/h4-5,7-8,11-12H,6H2,1-3H3/b7-4-,8-5-,10-9-
InChIKeyJVVFVPDFMCZIGM-NOHNPUCESA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol?
The IUPAC name of (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol (CID 144794263) is (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol.
What is the SMILES notation for (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol?
The canonical SMILES for (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol is C/C=C\C(O)=C(/C=C\C)NCC.
What is the InChIKey of (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol?
The InChIKey is JVVFVPDFMCZIGM-NOHNPUCESA-N. The full InChI is InChI=1S/C10H17NO/c1-4-7-9(11-6-3)10(12)8-5-2/h4-5,7-8,11-12H,6H2,1-3H3/b7-4-,8-5-,10-9-.
What are the key properties of (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol?
(2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol has a molecular weight of 167.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-5-(ethylamino)octa-2,4,6-trien-4-ol is sourced from PubChem (CID 144794263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).