1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine

C26H35NO3 — CID 11441228

IUPAC1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine
SMILESCOc1ccc(C(C)(C)C/C=C(\C)C(C)C)c(/N=C/c2c(OC)cccc2OC)c1
InChIInChI=1S/C26H35NO3/c1-18(2)19(3)14-15-26(4,5)22-13-12-20(28-6)16-23(22)27-17-21-24(29-7)10-9-11-25(21)30-8/h9-14,16-18H,15H2,1-8H3/b19-14+,27-17+
InChIKeyMWJPIBOPQISMGZ-PEZGOEQMSA-N
MW409.57 g/mol
LogP6.73
Rot. Bonds9

About 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine

1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine (PubChem CID 11441228) has the molecular formula C26H35NO3 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine
PubChem CID11441228
Molecular FormulaC26H35NO3
Molecular Weight409.57 g/mol
Exact Mass409.26
IUPAC Name1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine
SMILESCOc1ccc(C(C)(C)C/C=C(\C)C(C)C)c(/N=C/c2c(OC)cccc2OC)c1
InChIInChI=1S/C26H35NO3/c1-18(2)19(3)14-15-26(4,5)22-13-12-20(28-6)16-23(22)27-17-21-24(29-7)10-9-11-25(21)30-8/h9-14,16-18H,15H2,1-8H3/b19-14+,27-17+
InChIKeyMWJPIBOPQISMGZ-PEZGOEQMSA-N
XLogP6.73
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloropalladium(1+);1-(2,6-dimethoxyphenyl)-N-[2-(2-methanidylpropan-2-yl)-5-methoxyphenyl]methanimine
CID 11385813
1-(2,6-dimethoxyphenyl)-N-[2-(2-methyl-1-phenylpropan-2-yl)phenyl]methanimine
CID 101216263
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-methyl-1H-indol-2-ol
CID 135863199
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
4-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one
CID 3431171
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
4,6-ditert-butyl-3-[(2-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 138115656
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine (CID 11441228) is 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine is COc1ccc(C(C)(C)C/C=C(\C)C(C)C)c(/N=C/c2c(OC)cccc2OC)c1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine?
The InChIKey is MWJPIBOPQISMGZ-PEZGOEQMSA-N. The full InChI is InChI=1S/C26H35NO3/c1-18(2)19(3)14-15-26(4,5)22-13-12-20(28-6)16-23(22)27-17-21-24(29-7)10-9-11-25(21)30-8/h9-14,16-18H,15H2,1-8H3/b19-14+,27-17+.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine?
1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine has a molecular weight of 409.57 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-[5-methoxy-2-[(E)-2,5,6-trimethylhept-4-en-2-yl]phenyl]methanimine is sourced from PubChem (CID 11441228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).