4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol

C15H27NO — CID 67855287

IUPAC4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC(N)=CC(C)(C(C)(C)C)C1O
InChIInChI=1S/C15H27NO/c1-13(2,3)11-8-10(16)9-15(7,12(11)17)14(4,5)6/h8-9,12,17H,16H2,1-7H3
InChIKeyUFCOOWSLIGNADJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.23
Rot. Bonds

About 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol

4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 67855287) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID67855287
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC(N)=CC(C)(C(C)(C)C)C1O
InChIInChI=1S/C15H27NO/c1-13(2,3)11-8-10(16)9-15(7,12(11)17)14(4,5)6/h8-9,12,17H,16H2,1-7H3
InChIKeyUFCOOWSLIGNADJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol (CID 67855287) is 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol is CC(C)(C)C1=CC(N)=CC(C)(C(C)(C)C)C1O.
What is the InChIKey of 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is UFCOOWSLIGNADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2,3)11-8-10(16)9-15(7,12(11)17)14(4,5)6/h8-9,12,17H,16H2,1-7H3.
What are the key properties of 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol?
4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-ditert-butyl-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67855287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).