2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol

C22H33N3O — CID 143036168

IUPAC2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol
SMILESCCC1=C/C(=N/Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(N)C=C1
InChIInChI=1S/C22H33N3O/c1-8-14-9-10-17(23)18(11-14)24-25-19-13-15(21(2,3)4)12-16(20(19)26)22(5,6)7/h9-13,17,25-26H,8,23H2,1-7H3/b24-18-
InChIKeyRLYWGXXUTGCFEZ-MOHJPFBDSA-N
MW355.53 g/mol
LogP4.99
Rot. Bonds3

About 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol

2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol (PubChem CID 143036168) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol
PubChem CID143036168
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol
SMILESCCC1=C/C(=N/Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(N)C=C1
InChIInChI=1S/C22H33N3O/c1-8-14-9-10-17(23)18(11-14)24-25-19-13-15(21(2,3)4)12-16(20(19)26)22(5,6)7/h9-13,17,25-26H,8,23H2,1-7H3/b24-18-
InChIKeyRLYWGXXUTGCFEZ-MOHJPFBDSA-N
XLogP4.99
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[6-amino-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 163641515
2-[(2Z)-2-(6-amino-4-chlorocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-6-tert-butyl-4-methylphenol
CID 143940059
2,4-ditert-butyl-6-[(2Z)-2-(3-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenol
CID 145362108
2,4-ditert-butyl-6-(methylamino)phenol
CID 57470249
2,4-ditert-butyl-6-(2-ethylanilino)phenol
CID 86036245
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-ditert-butylphenol
CID 101099598
2,4-ditert-butyl-6-(cyclohexylamino)phenol
CID 86118767
N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
CID 126701347
2-(1-adamantylamino)-4,6-ditert-butylphenol
CID 102496107
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
CID 102041593
2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
CID 70700395

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol (CID 143036168) is 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol is CCC1=C/C(=N/Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(N)C=C1.
What is the InChIKey of 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol?
The InChIKey is RLYWGXXUTGCFEZ-MOHJPFBDSA-N. The full InChI is InChI=1S/C22H33N3O/c1-8-14-9-10-17(23)18(11-14)24-25-19-13-15(21(2,3)4)12-16(20(19)26)22(5,6)7/h9-13,17,25-26H,8,23H2,1-7H3/b24-18-.
What are the key properties of 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol?
2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol has a molecular weight of 355.53 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(6-amino-3-ethylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-4,6-ditert-butylphenol is sourced from PubChem (CID 143036168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).