6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol

C11H19NO — CID 69195747

IUPAC6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(CN(C)C)C1O
InChIInChI=1S/C11H19NO/c1-9-6-5-7-11(2,10(9)13)8-12(3)4/h5-7,10,13H,8H2,1-4H3
InChIKeyOAUIEHFRGIGFSF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds2

About 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol

6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 69195747) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID69195747
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(CN(C)C)C1O
InChIInChI=1S/C11H19NO/c1-9-6-5-7-11(2,10(9)13)8-12(3)4/h5-7,10,13H,8H2,1-4H3
InChIKeyOAUIEHFRGIGFSF-UHFFFAOYSA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol (CID 69195747) is 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(C)(CN(C)C)C1O.
What is the InChIKey of 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is OAUIEHFRGIGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-6-5-7-11(2,10(9)13)8-12(3)4/h5-7,10,13H,8H2,1-4H3.
What are the key properties of 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol?
6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69195747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).