N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine

C20H26N2 — CID 130430870

IUPACN-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine
SMILESC/C(=N\c1cc(C(C)C)ccc1C(C)C)c1ncccc1C
InChIInChI=1S/C20H26N2/c1-13(2)17-9-10-18(14(3)4)19(12-17)22-16(6)20-15(5)8-7-11-21-20/h7-14H,1-6H3/b22-16+
InChIKeyOQOYFEYHRFAFSC-CJLVFECKSA-N
MW294.44 g/mol
LogP5.78
Rot. Bonds4

About N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine

N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine (PubChem CID 130430870) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine.

Molecular Properties

Compound NameN-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine
PubChem CID130430870
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine
SMILESC/C(=N\c1cc(C(C)C)ccc1C(C)C)c1ncccc1C
InChIInChI=1S/C20H26N2/c1-13(2)17-9-10-18(14(3)4)19(12-17)22-16(6)20-15(5)8-7-11-21-20/h7-14H,1-6H3/b22-16+
InChIKeyOQOYFEYHRFAFSC-CJLVFECKSA-N
XLogP5.78
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.78
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

1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
CID 141216840
dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
CID 153313891
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2-(3-chlorobut-2-en-2-yl)-3-methylpyridine
CID 123781383
bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylphenol
CID 161345551
2-bromo-1-(3-methyl-2-pyridinyl)propan-1-one
CID 71428247
3-methyl-N'-(2-methylpropyl)pyridine-2-carboximidamide
CID 63181666
1-(3-methyl-2-pyridinyl)ethanimine
CID 91362757
N'-amino-3-methylpyridine-2-carboximidamide
CID 69377303
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
3-propan-2-ylpyridine-2-carboximidamide
CID 131699759
N-[2,5-di(propan-2-yl)phenyl]-1-[2-(3-fluorophenyl)-6-methylphenyl]methanimine
CID 102579192

Frequently Asked Questions

What is the IUPAC name of N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine?
The IUPAC name of N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine (CID 130430870) is N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine.
What is the SMILES notation for N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine?
The canonical SMILES for N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine is C/C(=N\c1cc(C(C)C)ccc1C(C)C)c1ncccc1C.
What is the InChIKey of N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine?
The InChIKey is OQOYFEYHRFAFSC-CJLVFECKSA-N. The full InChI is InChI=1S/C20H26N2/c1-13(2)17-9-10-18(14(3)4)19(12-17)22-16(6)20-15(5)8-7-11-21-20/h7-14H,1-6H3/b22-16+.
What are the key properties of N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine?
N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine has a molecular weight of 294.44 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine is sourced from PubChem (CID 130430870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).