N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide

C17H26N2O — CID 123519720

IUPACN'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide
SMILESC=N/C(C)=N/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(18-8)19-12-9-13(16(2,3)4)15(20)14(10-12)17(5,6)7/h9-10,20H,8H2,1-7H3/b19-11+
InChIKeyVEVFBXLWSCIUGH-YBFXNURJSA-N
MW274.41 g/mol
LogP4.74
Rot. Bonds1

About N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide

N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide (PubChem CID 123519720) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide
PubChem CID123519720
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide
SMILESC=N/C(C)=N/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(18-8)19-12-9-13(16(2,3)4)15(20)14(10-12)17(5,6)7/h9-10,20H,8H2,1-7H3/b19-11+
InChIKeyVEVFBXLWSCIUGH-YBFXNURJSA-N
XLogP4.74
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007
(3,5-ditert-butyl-4-hydroxyphenyl)iminourea
CID 4637687
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
2,6-ditert-butyl-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol;hydrochloride
CID 175666737
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
2,6-ditert-butyl-4-pent-4-enylphenol
CID 22463031
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide?
The IUPAC name of N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide (CID 123519720) is N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide.
What is the SMILES notation for N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide?
The canonical SMILES for N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide is C=N/C(C)=N/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide?
The InChIKey is VEVFBXLWSCIUGH-YBFXNURJSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(18-8)19-12-9-13(16(2,3)4)15(20)14(10-12)17(5,6)7/h9-10,20H,8H2,1-7H3/b19-11+.
What are the key properties of N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide?
N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide has a molecular weight of 274.41 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide is sourced from PubChem (CID 123519720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).