2-(2-ethylidenepent-3-enylamino)ethanol

C9H17NO — CID 123941674

IUPAC2-(2-ethylidenepent-3-enylamino)ethanol
SMILESCC=CC(=CC)CNCCO
InChIInChI=1S/C9H17NO/c1-3-5-9(4-2)8-10-6-7-11/h3-5,10-11H,6-8H2,1-2H3
InChIKeyLYCXXFLMYVPFNI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.09
Rot. Bonds5

About 2-(2-ethylidenepent-3-enylamino)ethanol

2-(2-ethylidenepent-3-enylamino)ethanol (PubChem CID 123941674) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(2-ethylidenepent-3-enylamino)ethanol.

Molecular Properties

Compound Name2-(2-ethylidenepent-3-enylamino)ethanol
PubChem CID123941674
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(2-ethylidenepent-3-enylamino)ethanol
SMILESCC=CC(=CC)CNCCO
InChIInChI=1S/C9H17NO/c1-3-5-9(4-2)8-10-6-7-11/h3-5,10-11H,6-8H2,1-2H3
InChIKeyLYCXXFLMYVPFNI-UHFFFAOYSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.09
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-(2-ethylidenepent-3-enylamino)ethanol?
The IUPAC name of 2-(2-ethylidenepent-3-enylamino)ethanol (CID 123941674) is 2-(2-ethylidenepent-3-enylamino)ethanol.
What is the SMILES notation for 2-(2-ethylidenepent-3-enylamino)ethanol?
The canonical SMILES for 2-(2-ethylidenepent-3-enylamino)ethanol is CC=CC(=CC)CNCCO.
What is the InChIKey of 2-(2-ethylidenepent-3-enylamino)ethanol?
The InChIKey is LYCXXFLMYVPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-9(4-2)8-10-6-7-11/h3-5,10-11H,6-8H2,1-2H3.
What are the key properties of 2-(2-ethylidenepent-3-enylamino)ethanol?
2-(2-ethylidenepent-3-enylamino)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylidenepent-3-enylamino)ethanol is sourced from PubChem (CID 123941674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).