6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol

C10H17NO — CID 70584700

IUPAC6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)(N(C)C)C=C1
InChIInChI=1S/C10H17NO/c1-8-5-6-10(2,11(3)4)9(12)7-8/h5-7,9,12H,1-4H3
InChIKeyNITLLFACJLPWEM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.18
Rot. Bonds1

About 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol

6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 70584700) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID70584700
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)(N(C)C)C=C1
InChIInChI=1S/C10H17NO/c1-8-5-6-10(2,11(3)4)9(12)7-8/h5-7,9,12H,1-4H3
InChIKeyNITLLFACJLPWEM-UHFFFAOYSA-N
XLogP1.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Diethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 68213053
6-(Dimethylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 70585289
6-[Hydroxy(propyl)amino]-6-methylcyclohexa-2,4-dien-1-ol
CID 88009772
6-[(Dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
CID 118368980
6-(Dimethylamino)cyclohexa-2,4-dien-1-ol
CID 123274622
1-(Dimethylamino)cyclohexa-3,5-diene-1,2-diol
CID 140324478
1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol
CID 143192405
(2S,3E)-3-ethenyl-1-[methyl(propan-2-yl)amino]hexa-3,5-dien-2-ol
CID 143492500
Potassium;(2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)-methylazanide;ethane
CID 143522607
1-Cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol
CID 143658544
(3E)-1-(dimethylamino)-3-ethenylhexa-3,5-dien-2-ol
CID 143837865
6-(Dimethylamino)-6-[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol
CID 150281451

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol (CID 70584700) is 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC(O)C(C)(N(C)C)C=C1.
What is the InChIKey of 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is NITLLFACJLPWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-6-10(2,11(3)4)9(12)7-8/h5-7,9,12H,1-4H3.
What are the key properties of 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol?
6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70584700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).