6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one

C20H26N2O2 — CID 15291328

IUPAC6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one
SMILESCC(C)(C)C1=CC(=O)/C(=N\c2cc(N)c(O)cc2C(C)(C)C)C=C1
InChIInChI=1S/C20H26N2O2/c1-19(2,3)12-7-8-15(18(24)9-12)22-16-11-14(21)17(23)10-13(16)20(4,5)6/h7-11,23H,21H2,1-6H3/b22-15-
InChIKeyXVCKVWMLWIYPCB-JCMHNJIXSA-N
MW326.44 g/mol
LogP4.46
Rot. Bonds1

About 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one

6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one (PubChem CID 15291328) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one
PubChem CID15291328
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one
SMILESCC(C)(C)C1=CC(=O)/C(=N\c2cc(N)c(O)cc2C(C)(C)C)C=C1
InChIInChI=1S/C20H26N2O2/c1-19(2,3)12-7-8-15(18(24)9-12)22-16-11-14(21)17(23)10-13(16)20(4,5)6/h7-11,23H,21H2,1-6H3/b22-15-
InChIKeyXVCKVWMLWIYPCB-JCMHNJIXSA-N
XLogP4.46
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

Analyze 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

4-chloro-6-(3,5-ditert-butyl-2-hydroxyphenyl)iminocyclohexa-2,4-dien-1-one
CID 139164830
4-amino-6-(ethylideneamino)benzene-1,3-diol;ethane
CID 142933869
5-amino-2,3-ditert-butylphenol
CID 126738766
2-amino-5-tert-butyl-4-hexadecoxyphenol
CID 13076762
3-amino-2,5-ditert-butylbenzene-1,4-diol
CID 86244244
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
CID 134897947
2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
CID 13040099
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
4-amino-1,5-ditert-butylpyridin-2-one
CID 160952983
2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614
4-tert-butyl-1-hydroxythiopyran-2-amine
CID 163803881

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one (CID 15291328) is 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one is CC(C)(C)C1=CC(=O)/C(=N\c2cc(N)c(O)cc2C(C)(C)C)C=C1.
What is the InChIKey of 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one?
The InChIKey is XVCKVWMLWIYPCB-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-19(2,3)12-7-8-15(18(24)9-12)22-16-11-14(21)17(23)10-13(16)20(4,5)6/h7-11,23H,21H2,1-6H3/b22-15-.
What are the key properties of 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one?
6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one has a molecular weight of 326.44 g/mol, XLogP of 4.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-tert-butyl-4-hydroxyphenyl)imino-3-tert-butylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 15291328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).