1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine

C28H34N2 — CID 102492718

IUPAC1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
SMILESCCCCc1cc(/C=N/c2c(C(C)C)cccc2C(C)C)nc(-c2ccccc2)c1
InChIInChI=1S/C28H34N2/c1-6-7-12-22-17-24(30-27(18-22)23-13-9-8-10-14-23)19-29-28-25(20(2)3)15-11-16-26(28)21(4)5/h8-11,13-21H,6-7,12H2,1-5H3/b29-19+
InChIKeyKIVDOXRIWRAFJM-VUTHCHCSSA-N
MW398.59 g/mol
LogP8.09
Rot. Bonds8

About 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine

1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine (PubChem CID 102492718) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
PubChem CID102492718
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
SMILESCCCCc1cc(/C=N/c2c(C(C)C)cccc2C(C)C)nc(-c2ccccc2)c1
InChIInChI=1S/C28H34N2/c1-6-7-12-22-17-24(30-27(18-22)23-13-9-8-10-14-23)19-29-28-25(20(2)3)15-11-16-26(28)21(4)5/h8-11,13-21H,6-7,12H2,1-5H3/b29-19+
InChIKeyKIVDOXRIWRAFJM-VUTHCHCSSA-N
XLogP8.09
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-(6-phenyl-2-pyridinyl)methanimine
CID 59444818
2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
CID 136726129
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173243069
N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 12070562
N-(2,4,6-tributylphenyl)-1-[6-[(2,4,6-tributylphenyl)iminomethyl]-2-pyridinyl]methanimine;vanadium;trichloride
CID 173243593
2,6-diphenyl-4-propylpyridine
CID 164669086
1-(2,5-diphenyl-1,3-oxazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
CID 58932997
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011433
N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
CID 58933058

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The IUPAC name of 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine (CID 102492718) is 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine is CCCCc1cc(/C=N/c2c(C(C)C)cccc2C(C)C)nc(-c2ccccc2)c1.
What is the InChIKey of 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
The InChIKey is KIVDOXRIWRAFJM-VUTHCHCSSA-N. The full InChI is InChI=1S/C28H34N2/c1-6-7-12-22-17-24(30-27(18-22)23-13-9-8-10-14-23)19-29-28-25(20(2)3)15-11-16-26(28)21(4)5/h8-11,13-21H,6-7,12H2,1-5H3/b29-19+.
What are the key properties of 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine?
1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine has a molecular weight of 398.59 g/mol, XLogP of 8.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-6-phenyl-2-pyridinyl)-N-[2,6-di(propan-2-yl)phenyl]methanimine is sourced from PubChem (CID 102492718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).