N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine

C25H28N2 — CID 58238596

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H28N2/c1-17(2)22-12-9-13-23(18(3)4)25(22)27-19(5)20-10-8-11-21(16-20)24-14-6-7-15-26-24/h6-18H,1-5H3/b27-19+
InChIKeyCJNYHRQHOPSTHD-ZXVVBBHZSA-N
MW356.51 g/mol
LogP7.14
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine (PubChem CID 58238596) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine
PubChem CID58238596
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H28N2/c1-17(2)22-12-9-13-23(18(3)4)25(22)27-19(5)20-10-8-11-21(16-20)24-14-6-7-15-26-24/h6-18H,1-5H3/b27-19+
InChIKeyCJNYHRQHOPSTHD-ZXVVBBHZSA-N
XLogP7.14
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.14
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-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
CID 20639667
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride
CID 173243944
2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)pentane-2,4-diimine
CID 59434234
N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 23567899
copper(1+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-(3-methoxyphenyl)-2-pyridinyl]ethanimine;2-oxo-2-phenylacetate
CID 139118107
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514
2-[3-[(2E)-5-methylhexa-2,4-dien-3-yl]phenyl]pyridine
CID 155016895
N-[amino-(2-propan-2-yl-5-pyridin-2-ylphenyl)methylidene]methanethioamide
CID 129279585
1-(3,5-dimethylpyrazol-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 102025834

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine (CID 58238596) is N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccn2)c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine?
The InChIKey is CJNYHRQHOPSTHD-ZXVVBBHZSA-N. The full InChI is InChI=1S/C25H28N2/c1-17(2)22-12-9-13-23(18(3)4)25(22)27-19(5)20-10-8-11-21(16-20)24-14-6-7-15-26-24/h6-18H,1-5H3/b27-19+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine has a molecular weight of 356.51 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine is sourced from PubChem (CID 58238596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).