2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol

C10H17NO — CID 144867756

IUPAC2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol
SMILESC=C/C(=C\C=C/C)CNCCO
InChIInChI=1S/C10H17NO/c1-3-5-6-10(4-2)9-11-7-8-12/h3-6,11-12H,2,7-9H2,1H3/b5-3-,10-6+
InChIKeyFCHYVXUVYKXGOW-UTMABKKZSA-N
MW167.25 g/mol
LogP1.26
Rot. Bonds6

About 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol

2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol (PubChem CID 144867756) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol
PubChem CID144867756
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol
SMILESC=C/C(=C\C=C/C)CNCCO
InChIInChI=1S/C10H17NO/c1-3-5-6-10(4-2)9-11-7-8-12/h3-6,11-12H,2,7-9H2,1H3/b5-3-,10-6+
InChIKeyFCHYVXUVYKXGOW-UTMABKKZSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol?
The IUPAC name of 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol (CID 144867756) is 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol.
What is the SMILES notation for 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol?
The canonical SMILES for 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol is C=C/C(=C\C=C/C)CNCCO.
What is the InChIKey of 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol?
The InChIKey is FCHYVXUVYKXGOW-UTMABKKZSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-6-10(4-2)9-11-7-8-12/h3-6,11-12H,2,7-9H2,1H3/b5-3-,10-6+.
What are the key properties of 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol?
2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]ethanol is sourced from PubChem (CID 144867756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).