2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol

C9H15NO — CID 163653794

IUPAC2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1C=C(C)C=C(C)C1O
InChIInChI=1S/C9H15NO/c1-6-4-7(2)9(11)8(5-6)10-3/h4-5,8-11H,1-3H3
InChIKeyIOLVEDSBGKQHQZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds1

About 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol

2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 163653794) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
PubChem CID163653794
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1C=C(C)C=C(C)C1O
InChIInChI=1S/C9H15NO/c1-6-4-7(2)9(11)8(5-6)10-3/h4-5,8-11H,1-3H3
InChIKeyIOLVEDSBGKQHQZ-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol (CID 163653794) is 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol is CNC1C=C(C)C=C(C)C1O.
What is the InChIKey of 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is IOLVEDSBGKQHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-4-7(2)9(11)8(5-6)10-3/h4-5,8-11H,1-3H3.
What are the key properties of 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol?
2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(methylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163653794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).