N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine

C35H47N3 — CID 70011433

IUPACN-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCCCCc1cccc(CCCC)c1/N=C/c1cccc(/C=N/c2c(CCCC)cccc2CCCC)n1
InChIInChI=1S/C35H47N3/c1-5-9-16-28-20-13-21-29(17-10-6-2)34(28)36-26-32-24-15-25-33(38-32)27-37-35-30(18-11-7-3)22-14-23-31(35)19-12-8-4/h13-15,20-27H,5-12,16-19H2,1-4H3/b36-26+,37-27+
InChIKeyLBPGSVXZNVTDGL-FIGANRNSSA-N
MW509.78 g/mol
LogP9.95
Rot. Bonds16

About N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine

N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine (PubChem CID 70011433) has the molecular formula C35H47N3 and a molecular weight of 509.78 g/mol. Its IUPAC name is N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
PubChem CID70011433
Molecular FormulaC35H47N3
Molecular Weight509.78 g/mol
Exact Mass509.38
IUPAC NameN-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCCCCc1cccc(CCCC)c1/N=C/c1cccc(/C=N/c2c(CCCC)cccc2CCCC)n1
InChIInChI=1S/C35H47N3/c1-5-9-16-28-20-13-21-29(17-10-6-2)34(28)36-26-32-24-15-25-33(38-32)27-37-35-30(18-11-7-3)22-14-23-31(35)19-12-8-4/h13-15,20-27H,5-12,16-19H2,1-4H3/b36-26+,37-27+
InChIKeyLBPGSVXZNVTDGL-FIGANRNSSA-N
XLogP9.95
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.78
LogP ≤ 59.95
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-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-dibutylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutylphenyl)methanimine;iron(2+);dichloride
CID 70011558
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 70012064
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747
cobalt(3+);N-(2,6-dibutyl-4-methylphenyl)-1-[6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-4-methyl-2-pyridinyl]methanimine;trichloride
CID 70013740
1-[4-chloro-6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)methanimine;iron(2+);dichloride
CID 70015315
1-[4-chloro-6-[(2,6-dibutyl-4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-dibutyl-4-methylphenyl)methanimine;neodymium(3+);trichloride
CID 173243871
N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 90442397
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
CID 70014357
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The IUPAC name of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine (CID 70011433) is N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine is CCCCc1cccc(CCCC)c1/N=C/c1cccc(/C=N/c2c(CCCC)cccc2CCCC)n1.
What is the InChIKey of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The InChIKey is LBPGSVXZNVTDGL-FIGANRNSSA-N. The full InChI is InChI=1S/C35H47N3/c1-5-9-16-28-20-13-21-29(17-10-6-2)34(28)36-26-32-24-15-25-33(38-32)27-37-35-30(18-11-7-3)22-14-23-31(35)19-12-8-4/h13-15,20-27H,5-12,16-19H2,1-4H3/b36-26+,37-27+.
What are the key properties of N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine?
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine has a molecular weight of 509.78 g/mol, XLogP of 9.95, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 70011433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).