N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine

C38H61NO — CID 101243686

IUPACN-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C38H61NO/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-33-40-38-31-27-36(28-32-38)34-39-37-29-25-35(26-30-37)24-22-20-18-12-10-8-6-4-2/h25-32,34H,3-24,33H2,1-2H3/b39-34+
InChIKeyGWHOCDLJCUZVCN-JQJRJOTLSA-N
MW547.91 g/mol
LogP12.59
Rot. Bonds26

About N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine

N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine (PubChem CID 101243686) has the molecular formula C38H61NO and a molecular weight of 547.91 g/mol. Its IUPAC name is N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
PubChem CID101243686
Molecular FormulaC38H61NO
Molecular Weight547.91 g/mol
Exact Mass547.48
IUPAC NameN-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C38H61NO/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-33-40-38-31-27-36(28-32-38)34-39-37-29-25-35(26-30-37)24-22-20-18-12-10-8-6-4-2/h25-32,34H,3-24,33H2,1-2H3/b39-34+
InChIKeyGWHOCDLJCUZVCN-JQJRJOTLSA-N
XLogP12.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.91
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
4-[4-[9-[4-[(4-hexylphenyl)iminomethyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 102120024
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212

Frequently Asked Questions

What is the IUPAC name of N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine?
The IUPAC name of N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine (CID 101243686) is N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine.
What is the SMILES notation for N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine?
The canonical SMILES for N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine is CCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCCCCCCCCC)cc2)cc1.
What is the InChIKey of N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine?
The InChIKey is GWHOCDLJCUZVCN-JQJRJOTLSA-N. The full InChI is InChI=1S/C38H61NO/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-33-40-38-31-27-36(28-32-38)34-39-37-29-25-35(26-30-37)24-22-20-18-12-10-8-6-4-2/h25-32,34H,3-24,33H2,1-2H3/b39-34+.
What are the key properties of N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine?
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine has a molecular weight of 547.91 g/mol, XLogP of 12.59, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine is sourced from PubChem (CID 101243686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).