4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol

C8H13NO — CID 170850534

IUPAC4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol
SMILESCNC1(C)C=CC(O)=CC1
InChIInChI=1S/C8H13NO/c1-8(9-2)5-3-7(10)4-6-8/h3-5,9-10H,6H2,1-2H3
InChIKeyROHIIQWLJPUPPI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.37
Rot. Bonds1

About 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol

4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol (PubChem CID 170850534) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol
PubChem CID170850534
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol
SMILESCNC1(C)C=CC(O)=CC1
InChIInChI=1S/C8H13NO/c1-8(9-2)5-3-7(10)4-6-8/h3-5,9-10H,6H2,1-2H3
InChIKeyROHIIQWLJPUPPI-UHFFFAOYSA-N
XLogP1.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-4-methylcyclohexa-1,5-dien-1-ol
CID 67750417
(4R)-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 89234266
4-(Methylamino)cyclohexa-1,5-dien-1-ol
CID 118369981
[4-Methyl-4-(methylamino)cyclohexa-1,5-dien-1-yl] hydrogen sulfate
CID 141378037
(3E,5Z)-4-[(1S)-1-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 143401875
3-Amino-3-methylcyclohexa-1,5-dien-1-ol
CID 147688389
4-Amino-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 152499040
1-(Methylamino)cyclohexa-2,4-dien-1-ol
CID 154111545
3-Amino-3,4-dimethylcyclohexa-1,5-dien-1-ol
CID 174725728
4-(Propylamino)cyclohexa-1,5-dien-1-ol
CID 144264593

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol (CID 170850534) is 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol is CNC1(C)C=CC(O)=CC1.
What is the InChIKey of 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol?
The InChIKey is ROHIIQWLJPUPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(9-2)5-3-7(10)4-6-8/h3-5,9-10H,6H2,1-2H3.
What are the key properties of 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol?
4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylamino)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 170850534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).