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4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol

C12H21NO — CID 155067841

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
SMILESCNCC1CC(C(C)(C)C)=CC=C1O
InChIInChI=1S/C12H21NO/c1-12(2,3)10-5-6-11(14)9(7-10)8-13-4/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyMYKPCYFIIXOERE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.64
Rot. Bonds2

About 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol

4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 155067841) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
PubChem CID155067841
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
SMILESCNCC1CC(C(C)(C)C)=CC=C1O
InChIInChI=1S/C12H21NO/c1-12(2,3)10-5-6-11(14)9(7-10)8-13-4/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyMYKPCYFIIXOERE-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol (CID 155067841) is 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol is CNCC1CC(C(C)(C)C)=CC=C1O.
What is the InChIKey of 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is MYKPCYFIIXOERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)10-5-6-11(14)9(7-10)8-13-4/h5-6,9,13-14H,7-8H2,1-4H3.
What are the key properties of 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol?
4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 155067841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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