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

C19H24N2 — CID 20639667

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccnc1
InChIInChI=1S/C19H24N2/c1-13(2)17-9-6-10-18(14(3)4)19(17)21-15(5)16-8-7-11-20-12-16/h6-14H,1-5H3/b21-15+
InChIKeyZOQSRSVFBLWFMS-RCCKNPSSSA-N
MW280.41 g/mol
LogP5.47
Rot. Bonds4

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

N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine (PubChem CID 20639667) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
PubChem CID20639667
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccnc1
InChIInChI=1S/C19H24N2/c1-13(2)17-9-6-10-18(14(3)4)19(17)21-15(5)16-8-7-11-20-12-16/h6-14H,1-5H3/b21-15+
InChIKeyZOQSRSVFBLWFMS-RCCKNPSSSA-N
XLogP5.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.47
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-(3-pyridin-2-ylphenyl)ethanimine
CID 58238596
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
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
N-(3,5-dimethylphenyl)-1-pyridin-3-ylethanimine
CID 90830310
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
N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine
CID 87864246
dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 21133068
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
CID 87925983
1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
CID 141216840
benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide
CID 139142390

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine (CID 20639667) is N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccnc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine?
The InChIKey is ZOQSRSVFBLWFMS-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H24N2/c1-13(2)17-9-6-10-18(14(3)4)19(17)21-15(5)16-8-7-11-20-12-16/h6-14H,1-5H3/b21-15+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine has a molecular weight of 280.41 g/mol, XLogP of 5.47, 4 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-pyridin-3-ylethanimine is sourced from PubChem (CID 20639667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).