6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol

C10H17NO2 — CID 70525083

IUPAC6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol
SMILESCCC1C=CC=CC1(O)NCCO
InChIInChI=1S/C10H17NO2/c1-2-9-5-3-4-6-10(9,13)11-7-8-12/h3-6,9,11-13H,2,7-8H2,1H3
InChIKeyQCJHKUWLFSJKJS-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.41
Rot. Bonds4

About 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol

6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 70525083) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol
PubChem CID70525083
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol
SMILESCCC1C=CC=CC1(O)NCCO
InChIInChI=1S/C10H17NO2/c1-2-9-5-3-4-6-10(9,13)11-7-8-12/h3-6,9,11-13H,2,7-8H2,1H3
InChIKeyQCJHKUWLFSJKJS-UHFFFAOYSA-N
XLogP0.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol (CID 70525083) is 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol is CCC1C=CC=CC1(O)NCCO.
What is the InChIKey of 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is QCJHKUWLFSJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-9-5-3-4-6-10(9,13)11-7-8-12/h3-6,9,11-13H,2,7-8H2,1H3.
What are the key properties of 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol?
6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70525083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).