N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine

C29H35N3 — CID 70011747

IUPACN-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCCc1cc(C)cc(CC)c1/N=C/c1cccc(/C=N/c2c(CC)cc(C)cc2CC)n1
InChIInChI=1S/C29H35N3/c1-7-22-14-20(5)15-23(8-2)28(22)30-18-26-12-11-13-27(32-26)19-31-29-24(9-3)16-21(6)17-25(29)10-4/h11-19H,7-10H2,1-6H3/b30-18+,31-19+
InChIKeyWEFRZEZJLBVXKQ-GFTXTJKWSA-N
MW425.62 g/mol
LogP7.45
Rot. Bonds8

About N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine

N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine (PubChem CID 70011747) has the molecular formula C29H35N3 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
PubChem CID70011747
Molecular FormulaC29H35N3
Molecular Weight425.62 g/mol
Exact Mass425.28
IUPAC NameN-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCCc1cc(C)cc(CC)c1/N=C/c1cccc(/C=N/c2c(CC)cc(C)cc2CC)n1
InChIInChI=1S/C29H35N3/c1-7-22-14-20(5)15-23(8-2)28(22)30-18-26-12-11-13-27(32-26)19-31-29-24(9-3)16-21(6)17-25(29)10-4/h11-19H,7-10H2,1-6H3/b30-18+,31-19+
InChIKeyWEFRZEZJLBVXKQ-GFTXTJKWSA-N
XLogP7.45
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.45
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

N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
CID 70014357
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011433
N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 90442397
cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 70012064
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium(2+);dichloride
CID 173244597
N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
CID 173243593
1-[4-chloro-6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)methanimine;neodymium(3+);trichloride
CID 173243871
cobalt(3+);N-(2,6-dibutyl-4-methylphenyl)-1-[6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-4-methyl-2-pyridinyl]methanimine;trichloride
CID 70013740
N-(2,6-dicyclohexyl-4-methylphenyl)-1-[6-[(2,6-dicyclohexyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173244845
1-[4-methyl-6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]-N-(2,4,6-tripropylphenyl)methanimine;neodymium(3+);trichloride
CID 173243696

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The IUPAC name of N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine (CID 70011747) is N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine is CCc1cc(C)cc(CC)c1/N=C/c1cccc(/C=N/c2c(CC)cc(C)cc2CC)n1.
What is the InChIKey of N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The InChIKey is WEFRZEZJLBVXKQ-GFTXTJKWSA-N. The full InChI is InChI=1S/C29H35N3/c1-7-22-14-20(5)15-23(8-2)28(22)30-18-26-12-11-13-27(32-26)19-31-29-24(9-3)16-21(6)17-25(29)10-4/h11-19H,7-10H2,1-6H3/b30-18+,31-19+.
What are the key properties of N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine has a molecular weight of 425.62 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 70011747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).