N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine

C25H33NO — CID 122545420

IUPACN-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine
SMILESCc1ccc(-c2ccccc2)c(OC(C)C)c1/C=N/C1CCCCCCC1
InChIInChI=1S/C25H33NO/c1-19(2)27-25-23(21-12-8-7-9-13-21)17-16-20(3)24(25)18-26-22-14-10-5-4-6-11-15-22/h7-9,12-13,16-19,22H,4-6,10-11,14-15H2,1-3H3/b26-18+
InChIKeyJYSXXKLUYXTYMT-NLRVBDNBSA-N
MW363.55 g/mol
LogP6.98
Rot. Bonds5

About N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine

N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine (PubChem CID 122545420) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine.

Molecular Properties

Compound NameN-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine
PubChem CID122545420
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC NameN-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine
SMILESCc1ccc(-c2ccccc2)c(OC(C)C)c1/C=N/C1CCCCCCC1
InChIInChI=1S/C25H33NO/c1-19(2)27-25-23(21-12-8-7-9-13-21)17-16-20(3)24(25)18-26-22-14-10-5-4-6-11-15-22/h7-9,12-13,16-19,22H,4-6,10-11,14-15H2,1-3H3/b26-18+
InChIKeyJYSXXKLUYXTYMT-NLRVBDNBSA-N
XLogP6.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine?
The IUPAC name of N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine (CID 122545420) is N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine.
What is the SMILES notation for N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine?
The canonical SMILES for N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine is Cc1ccc(-c2ccccc2)c(OC(C)C)c1/C=N/C1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine?
The InChIKey is JYSXXKLUYXTYMT-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H33NO/c1-19(2)27-25-23(21-12-8-7-9-13-21)17-16-20(3)24(25)18-26-22-14-10-5-4-6-11-15-22/h7-9,12-13,16-19,22H,4-6,10-11,14-15H2,1-3H3/b26-18+.
What are the key properties of N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine?
N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine has a molecular weight of 363.55 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(6-methyl-3-phenyl-2-propan-2-yloxyphenyl)methanimine is sourced from PubChem (CID 122545420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).