N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine

C28H48N2 — CID 101093995

IUPACN-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
SMILESCCCCCCCCCC/N=C/c1ccc(/C=N/CCCCCCCCCC)cc1
InChIInChI=1S/C28H48N2/c1-3-5-7-9-11-13-15-17-23-29-25-27-19-21-28(22-20-27)26-30-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3/b29-25+,30-26+
InChIKeyAZWLIPIXEJKJAT-XDHTVYJESA-N
MW412.71 g/mol
LogP8.81
Rot. Bonds20

About N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine (PubChem CID 101093995) has the molecular formula C28H48N2 and a molecular weight of 412.71 g/mol. Its IUPAC name is N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
PubChem CID101093995
Molecular FormulaC28H48N2
Molecular Weight412.71 g/mol
Exact Mass412.38
IUPAC NameN-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
SMILESCCCCCCCCCC/N=C/c1ccc(/C=N/CCCCCCCCCC)cc1
InChIInChI=1S/C28H48N2/c1-3-5-7-9-11-13-15-17-23-29-25-27-19-21-28(22-20-27)26-30-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3/b29-25+,30-26+
InChIKeyAZWLIPIXEJKJAT-XDHTVYJESA-N
XLogP8.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 58.81
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-methylphenyl)-N-nonylmethanimine
CID 525728
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
CID 175685800
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006
6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
CID 59344399

Frequently Asked Questions

What is the IUPAC name of N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine?
The IUPAC name of N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine (CID 101093995) is N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine.
What is the SMILES notation for N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine?
The canonical SMILES for N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine is CCCCCCCCCC/N=C/c1ccc(/C=N/CCCCCCCCCC)cc1.
What is the InChIKey of N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine?
The InChIKey is AZWLIPIXEJKJAT-XDHTVYJESA-N. The full InChI is InChI=1S/C28H48N2/c1-3-5-7-9-11-13-15-17-23-29-25-27-19-21-28(22-20-27)26-30-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3/b29-25+,30-26+.
What are the key properties of N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine?
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine has a molecular weight of 412.71 g/mol, XLogP of 8.81, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine is sourced from PubChem (CID 101093995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).