1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine

C28H41NO — CID 2753464

IUPAC1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
SMILESCCCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C28H41NO/c1-3-5-7-9-10-11-12-14-25-15-19-27(20-16-25)29-24-26-17-21-28(22-18-26)30-23-13-8-6-4-2/h15-22,24H,3-14,23H2,1-2H3/b29-24+
InChIKeyNZAISKFWVKZADQ-RMLRFSFXSA-N
MW407.64 g/mol
LogP8.69
Rot. Bonds16

About 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine

1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine (PubChem CID 2753464) has the molecular formula C28H41NO and a molecular weight of 407.64 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
PubChem CID2753464
Molecular FormulaC28H41NO
Molecular Weight407.64 g/mol
Exact Mass407.32
IUPAC Name1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
SMILESCCCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C28H41NO/c1-3-5-7-9-10-11-12-14-25-15-19-27(20-16-25)29-24-26-17-21-28(22-18-26)30-23-13-8-6-4-2/h15-22,24H,3-14,23H2,1-2H3/b29-24+
InChIKeyNZAISKFWVKZADQ-RMLRFSFXSA-N
XLogP8.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 58.69
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
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
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 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine?
The IUPAC name of 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine (CID 2753464) is 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine.
What is the SMILES notation for 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine?
The canonical SMILES for 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine is CCCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine?
The InChIKey is NZAISKFWVKZADQ-RMLRFSFXSA-N. The full InChI is InChI=1S/C28H41NO/c1-3-5-7-9-10-11-12-14-25-15-19-27(20-16-25)29-24-26-17-21-28(22-18-26)30-23-13-8-6-4-2/h15-22,24H,3-14,23H2,1-2H3/b29-24+.
What are the key properties of 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine?
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine has a molecular weight of 407.64 g/mol, XLogP of 8.69, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine is sourced from PubChem (CID 2753464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).