1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine

C22H22N4 — CID 102590474

IUPAC1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine
SMILESCc1cccc(/C=N/CCc2ccc(/N=C/c3cccc(C)n3)cc2)n1
InChIInChI=1S/C22H22N4/c1-17-5-3-7-21(25-17)15-23-14-13-19-9-11-20(12-10-19)24-16-22-8-4-6-18(2)26-22/h3-12,15-16H,13-14H2,1-2H3/b23-15+,24-16+
InChIKeyFNGKIVCBJDOMSO-DFEHQXHXSA-N
MW342.45 g/mol
LogP4.51
Rot. Bonds6

About 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine

1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine (PubChem CID 102590474) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine
PubChem CID102590474
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine
SMILESCc1cccc(/C=N/CCc2ccc(/N=C/c3cccc(C)n3)cc2)n1
InChIInChI=1S/C22H22N4/c1-17-5-3-7-21(25-17)15-23-14-13-19-9-11-20(12-10-19)24-16-22-8-4-6-18(2)26-22/h3-12,15-16H,13-14H2,1-2H3/b23-15+,24-16+
InChIKeyFNGKIVCBJDOMSO-DFEHQXHXSA-N
XLogP4.51
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-methyl-2-pyridinyl)methylideneamino]ethanol
CID 102086230
N-benzyl-1-(6-methyl-2-pyridinyl)methanimine
CID 71333948
1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 139079886
N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine
CID 135011140
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]-1-[6-[[4-[tris(4-tert-butylphenyl)methyl]phenyl]iminomethyl]-2-pyridinyl]methanimine
CID 101345246
(Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine
CID 5355485
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 90442397
1-(6-pyridin-2-yl-2-pyridinyl)-N-[4-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]phenyl]methanimine
CID 68534442
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine (CID 102590474) is 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine is Cc1cccc(/C=N/CCc2ccc(/N=C/c3cccc(C)n3)cc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine?
The InChIKey is FNGKIVCBJDOMSO-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H22N4/c1-17-5-3-7-21(25-17)15-23-14-13-19-9-11-20(12-10-19)24-16-22-8-4-6-18(2)26-22/h3-12,15-16H,13-14H2,1-2H3/b23-15+,24-16+.
What are the key properties of 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine?
1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine has a molecular weight of 342.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine is sourced from PubChem (CID 102590474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).