6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol

C8H13NO — CID 67944221

IUPAC6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(O)C1(C)N
InChIInChI=1S/C8H13NO/c1-6-4-3-5-7(10)8(6,2)9/h3-5,7,10H,9H2,1-2H3
InChIKeyAOWUCJYUXAYMGO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds

About 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol

6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 67944221) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID67944221
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(O)C1(C)N
InChIInChI=1S/C8H13NO/c1-6-4-3-5-7(10)8(6,2)9/h3-5,7,10H,9H2,1-2H3
InChIKeyAOWUCJYUXAYMGO-UHFFFAOYSA-N
XLogP0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-amino-5,6-dimethylcyclohexa-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-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol (CID 67944221) is 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(O)C1(C)N.
What is the InChIKey of 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is AOWUCJYUXAYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-3-5-7(10)8(6,2)9/h3-5,7,10H,9H2,1-2H3.
What are the key properties of 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).