2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol

C10H17NO2 — CID 89009955

IUPAC2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol
SMILESOCCNCCOC1=CCCC=C1
InChIInChI=1S/C10H17NO2/c12-8-6-11-7-9-13-10-4-2-1-3-5-10/h2,4-5,11-12H,1,3,6-9H2
InChIKeyQKAKEPRWJWOVOU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.82
Rot. Bonds6

About 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol

2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol (PubChem CID 89009955) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol.

Molecular Properties

Compound Name2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol
PubChem CID89009955
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol
SMILESOCCNCCOC1=CCCC=C1
InChIInChI=1S/C10H17NO2/c12-8-6-11-7-9-13-10-4-2-1-3-5-10/h2,4-5,11-12H,1,3,6-9H2
InChIKeyQKAKEPRWJWOVOU-UHFFFAOYSA-N
XLogP0.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol?
The IUPAC name of 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol (CID 89009955) is 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol.
What is the SMILES notation for 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol?
The canonical SMILES for 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol is OCCNCCOC1=CCCC=C1.
What is the InChIKey of 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol?
The InChIKey is QKAKEPRWJWOVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-8-6-11-7-9-13-10-4-2-1-3-5-10/h2,4-5,11-12H,1,3,6-9H2.
What are the key properties of 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol?
2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,5-dien-1-yloxyethylamino)ethanol is sourced from PubChem (CID 89009955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).