acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol

C23H38N2O3 — CID 87827197

IUPACacetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol
SMILESCC(=O)O.CC(C)(C)c1cc(/C=C2/CCCC(N)C2N)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H34N2O.C2H4O2/c1-20(2,3)15-11-14(19(24)16(12-15)21(4,5)6)10-13-8-7-9-17(22)18(13)23;1-2(3)4/h10-12,17-18,24H,7-9,22-23H2,1-6H3;1H3,(H,3,4)/b13-10-;
InChIKeyOAUOOIYCAJNTRZ-ALUHPYBCSA-N
MW390.57 g/mol
LogP4.30
Rot. Bonds1

About acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol

acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol (PubChem CID 87827197) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol.

Molecular Properties

Compound Nameacetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol
PubChem CID87827197
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Nameacetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol
SMILESCC(=O)O.CC(C)(C)c1cc(/C=C2/CCCC(N)C2N)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H34N2O.C2H4O2/c1-20(2,3)15-11-14(19(24)16(12-15)21(4,5)6)10-13-8-7-9-17(22)18(13)23;1-2(3)4/h10-12,17-18,24H,7-9,22-23H2,1-6H3;1H3,(H,3,4)/b13-10-;
InChIKeyOAUOOIYCAJNTRZ-ALUHPYBCSA-N
XLogP4.30
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Amino-1-(4-hydroxyphenyl)butyl)-2-methylphenol
CID 26348
3-tert-butyl-L-tyrosine
CID 20637691
4-Tert-butyl-2-((cyclohexylamino)methyl)-6-((dimethylamino)methyl)phenol
CID 413430
Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine
CID 135882
2,6-Bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxy-phenyl]phenol
CID 86576071
3-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;4-tert-butylphenol;formaldehyde
CID 170853031
4-(2-Aminoethyl)-2,6-di-t-butylphenol
CID 10490866
Phenol, 4-(3-aminopropyl)-2,6-bis(1,1-dimethylethyl)-
CID 10659224
2,4-Di-tert-butyl-6-cyclohexylaminomethyl-phenol
CID 17989918
Bis(3,5-di-t-butyl-salicylidene)-1,2-diaminocyclohexane
CID 87723592
3,5-Di-t-butyltyrosine
CID 88377707
4-[(1S)-1-aminoethyl]-2,6-ditert-butylphenol
CID 915375

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol?
The IUPAC name of acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol (CID 87827197) is acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol.
What is the SMILES notation for acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol?
The canonical SMILES for acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol is CC(=O)O.CC(C)(C)c1cc(/C=C2/CCCC(N)C2N)c(O)c(C(C)(C)C)c1.
What is the InChIKey of acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol?
The InChIKey is OAUOOIYCAJNTRZ-ALUHPYBCSA-N. The full InChI is InChI=1S/C21H34N2O.C2H4O2/c1-20(2,3)15-11-14(19(24)16(12-15)21(4,5)6)10-13-8-7-9-17(22)18(13)23;1-2(3)4/h10-12,17-18,24H,7-9,22-23H2,1-6H3;1H3,(H,3,4)/b13-10-;.
What are the key properties of acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol?
acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol has a molecular weight of 390.57 g/mol, XLogP of 4.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,4-ditert-butyl-6-[(Z)-(2,3-diaminocyclohexylidene)methyl]phenol is sourced from PubChem (CID 87827197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).