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

C8H13NO — CID 55284377

IUPAC6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(N)C1O
InChIInChI=1S/C8H13NO/c1-6-4-3-5-8(2,9)7(6)10/h3-5,7,10H,9H2,1-2H3
InChIKeyYGKOGEXHFAHYLR-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds

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

6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 55284377) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID55284377
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(N)C1O
InChIInChI=1S/C8H13NO/c1-6-4-3-5-8(2,9)7(6)10/h3-5,7,10H,9H2,1-2H3
InChIKeyYGKOGEXHFAHYLR-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol (CID 55284377) is 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(C)(N)C1O.
What is the InChIKey of 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is YGKOGEXHFAHYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-3-5-8(2,9)7(6)10/h3-5,7,10H,9H2,1-2H3.
What are the key properties of 6-amino-2,6-dimethylcyclohexa-2,4-dien-1-ol?
6-amino-2,6-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-2,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 55284377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).