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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).