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

C8H13NO — CID 70634940

IUPAC1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(N)(O)C1C
InChIInChI=1S/C8H13NO/c1-6-4-3-5-8(9,10)7(6)2/h3-5,7,10H,9H2,1-2H3
InChIKeyBTUQMUDTMOLRCY-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.79
Rot. Bonds

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

1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 70634940) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID70634940
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(N)(O)C1C
InChIInChI=1S/C8H13NO/c1-6-4-3-5-8(9,10)7(6)2/h3-5,7,10H,9H2,1-2H3
InChIKeyBTUQMUDTMOLRCY-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol (CID 70634940) is 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(N)(O)C1C.
What is the InChIKey of 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is BTUQMUDTMOLRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-3-5-8(9,10)7(6)2/h3-5,7,10H,9H2,1-2H3.
What are the key properties of 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol?
1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70634940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).