6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol

C9H15NO2 — CID 69347884

IUPAC6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(O)NC1(C)C=CC=CC1O
InChIInChI=1S/C9H15NO2/c1-7(11)10-9(2)6-4-3-5-8(9)12/h3-8,10-12H,1-2H3
InChIKeyNQPKRHWZAQLMMZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.16
Rot. Bonds2

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

6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 69347884) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID69347884
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(O)NC1(C)C=CC=CC1O
InChIInChI=1S/C9H15NO2/c1-7(11)10-9(2)6-4-3-5-8(9)12/h3-8,10-12H,1-2H3
InChIKeyNQPKRHWZAQLMMZ-UHFFFAOYSA-N
XLogP0.16
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol (CID 69347884) is 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol is CC(O)NC1(C)C=CC=CC1O.
What is the InChIKey of 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is NQPKRHWZAQLMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)10-9(2)6-4-3-5-8(9)12/h3-8,10-12H,1-2H3.
What are the key properties of 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 169.22 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69347884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).