N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine

C27H31N3 — CID 155570005

IUPACN-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine
SMILESCC(C)c1ccc(/N=C/Cc2cccc(C/C=N/c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C27H31N3/c1-20(2)22-8-12-24(13-9-22)28-18-16-26-6-5-7-27(30-26)17-19-29-25-14-10-23(11-15-25)21(3)4/h5-15,18-21H,16-17H2,1-4H3/b28-18+,29-19+
InChIKeyCPIQMXRFXUUAGA-UOSOPFLXSA-N
MW397.57 g/mol
LogP7.22
Rot. Bonds8

About N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine

N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine (PubChem CID 155570005) has the molecular formula C27H31N3 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine
PubChem CID155570005
Molecular FormulaC27H31N3
Molecular Weight397.57 g/mol
Exact Mass397.25
IUPAC NameN-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine
SMILESCC(C)c1ccc(/N=C/Cc2cccc(C/C=N/c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C27H31N3/c1-20(2)22-8-12-24(13-9-22)28-18-16-26-6-5-7-27(30-26)17-19-29-25-14-10-23(11-15-25)21(3)4/h5-15,18-21H,16-17H2,1-4H3/b28-18+,29-19+
InChIKeyCPIQMXRFXUUAGA-UOSOPFLXSA-N
XLogP7.22
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[2-[2,6-di(propan-2-yl)phenyl]iminoethyl]-2-pyridinyl]-N-phenylethanimine
CID 126613675
N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine
CID 139384645
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine
CID 91205826
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
1-(5-methylthiophen-2-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 2357426
N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane
CID 143993393
N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine
CID 173022617
N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239474
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine (CID 155570005) is N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine is CC(C)c1ccc(/N=C/Cc2cccc(C/C=N/c3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine?
The InChIKey is CPIQMXRFXUUAGA-UOSOPFLXSA-N. The full InChI is InChI=1S/C27H31N3/c1-20(2)22-8-12-24(13-9-22)28-18-16-26-6-5-7-27(30-26)17-19-29-25-14-10-23(11-15-25)21(3)4/h5-15,18-21H,16-17H2,1-4H3/b28-18+,29-19+.
What are the key properties of N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine?
N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine has a molecular weight of 397.57 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-[6-[2-(4-propan-2-ylphenyl)iminoethyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 155570005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).