7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol

C24H33NO — CID 58687428

IUPAC7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol
SMILESCCCCc1ccc(/N=C/c2ccc(CCCCCCCO)cc2)cc1
InChIInChI=1S/C24H33NO/c1-2-3-9-21-15-17-24(18-16-21)25-20-23-13-11-22(12-14-23)10-7-5-4-6-8-19-26/h11-18,20,26H,2-10,19H2,1H3/b25-20+
InChIKeyWLNWXBOZVBQGAK-LKUDQCMESA-N
MW351.53 g/mol
LogP6.27
Rot. Bonds12

About 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol

7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol (PubChem CID 58687428) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol.

Molecular Properties

Compound Name7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol
PubChem CID58687428
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol
SMILESCCCCc1ccc(/N=C/c2ccc(CCCCCCCO)cc2)cc1
InChIInChI=1S/C24H33NO/c1-2-3-9-21-15-17-24(18-16-21)25-20-23-13-11-22(12-14-23)10-7-5-4-6-8-19-26/h11-18,20,26H,2-10,19H2,1H3/b25-20+
InChIKeyWLNWXBOZVBQGAK-LKUDQCMESA-N
XLogP6.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.27
H-Bond Donors ≤ 51
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

p-Methylbenzylidene p-butylaniline
CID 123473
3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol
CID 143733259
2-[3-[(4-Fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol
CID 174247274
N-Benzylidene-4-dodecylphenylamine
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4-Methyl-2-[(phenylimino)methyl]-2-(2-phenyl-propan-2-yl)phenol
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2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol
CID 134949262
6-[4-[[4-(Trifluoromethyl)phenyl]iminomethyl]phenyl]hexyl propanoate
CID 101128336
N-[(E)-(4-isopropylphenyl)methylidene]-N-(4-methylphenyl)amine
CID 1809614
benzenamine, 4-propyl-N-[(4-propylphenyl)methylene]-
CID 12282287
Benzenamine, 4-butyl-N-[(4-ethylphenyl)methylene]-
CID 4617166
1-(4-ethylphenyl)-N-(4-hexylphenyl)methanimine
CID 12282284
Benzenamine, 4-butyl-N-[(4-butylphenyl)methylene]-
CID 12282293

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol?
The IUPAC name of 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol (CID 58687428) is 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol.
What is the SMILES notation for 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol?
The canonical SMILES for 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol is CCCCc1ccc(/N=C/c2ccc(CCCCCCCO)cc2)cc1.
What is the InChIKey of 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol?
The InChIKey is WLNWXBOZVBQGAK-LKUDQCMESA-N. The full InChI is InChI=1S/C24H33NO/c1-2-3-9-21-15-17-24(18-16-21)25-20-23-13-11-22(12-14-23)10-7-5-4-6-8-19-26/h11-18,20,26H,2-10,19H2,1H3/b25-20+.
What are the key properties of 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol?
7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol has a molecular weight of 351.53 g/mol, XLogP of 6.27, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-butylphenyl)iminomethyl]phenyl]heptan-1-ol is sourced from PubChem (CID 58687428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).