2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol

C10H17NO — CID 126627480

IUPAC2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol
SMILESC=CN(C/C=C\C=C/C)CCO
InChIInChI=1S/C10H17NO/c1-3-5-6-7-8-11(4-2)9-10-12/h3-7,12H,2,8-10H2,1H3/b5-3-,7-6-
InChIKeyPWIARZXRUWPGAP-VKLRWAGZSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds6

About 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol

2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol (PubChem CID 126627480) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol
PubChem CID126627480
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol
SMILESC=CN(C/C=C\C=C/C)CCO
InChIInChI=1S/C10H17NO/c1-3-5-6-7-8-11(4-2)9-10-12/h3-7,12H,2,8-10H2,1H3/b5-3-,7-6-
InChIKeyPWIARZXRUWPGAP-VKLRWAGZSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol?
The IUPAC name of 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol (CID 126627480) is 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol.
What is the SMILES notation for 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol?
The canonical SMILES for 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol is C=CN(C/C=C\C=C/C)CCO.
What is the InChIKey of 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol?
The InChIKey is PWIARZXRUWPGAP-VKLRWAGZSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-6-7-8-11(4-2)9-10-12/h3-7,12H,2,8-10H2,1H3/b5-3-,7-6-.
What are the key properties of 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol?
2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl-[(2Z,4Z)-hexa-2,4-dienyl]amino]ethanol is sourced from PubChem (CID 126627480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).