N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine

C21H28N2 — CID 87864246

IUPACN-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine
SMILESC/C(=N\c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cccnc1
InChIInChI=1S/C21H28N2/c1-15(16-9-8-10-22-14-16)23-19-12-17(20(2,3)4)11-18(13-19)21(5,6)7/h8-14H,1-7H3/b23-15+
InChIKeyZUTPGXTXDOUCOZ-HZHRSRAPSA-N
MW308.47 g/mol
LogP5.82
Rot. Bonds2

About N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine

N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine (PubChem CID 87864246) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine.

Molecular Properties

Compound NameN-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine
PubChem CID87864246
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine
SMILESC/C(=N\c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cccnc1
InChIInChI=1S/C21H28N2/c1-15(16-9-8-10-22-14-16)23-19-12-17(20(2,3)4)11-18(13-19)21(5,6)7/h8-14H,1-7H3/b23-15+
InChIKeyZUTPGXTXDOUCOZ-HZHRSRAPSA-N
XLogP5.82
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-1-pyridin-3-ylethanimine
CID 90830310
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
(NE,R)-2-methyl-N-(1-pyridin-3-ylethylidene)propane-2-sulfinamide
CID 53247809
2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
CID 60924746
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
CID 20639667
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-(4-icosoxy-3,5-diphenylphenyl)-1-pyridin-3-ylethanimine;iron
CID 87867411
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
1-pyridin-3-ylethanethione
CID 11815891
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
1-pyridin-3-ylethanone;hydrochloride
CID 69233376

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine?
The IUPAC name of N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine (CID 87864246) is N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine.
What is the SMILES notation for N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine?
The canonical SMILES for N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine is C/C(=N\c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cccnc1.
What is the InChIKey of N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine?
The InChIKey is ZUTPGXTXDOUCOZ-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H28N2/c1-15(16-9-8-10-22-14-16)23-19-12-17(20(2,3)4)11-18(13-19)21(5,6)7/h8-14H,1-7H3/b23-15+.
What are the key properties of N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine?
N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine has a molecular weight of 308.47 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine is sourced from PubChem (CID 87864246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).