N-hexadecyl-1-(4-methoxyphenyl)methanimine

C24H41NO — CID 102417152

IUPACN-hexadecyl-1-(4-methoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCC/N=C/c1ccc(OC)cc1
InChIInChI=1S/C24H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25-22-23-17-19-24(26-2)20-18-23/h17-20,22H,3-16,21H2,1-2H3/b25-22+
InChIKeyKEDXHOSYCTWTEQ-YYDJUVGSSA-N
MW359.60 g/mol
LogP7.60
Rot. Bonds17

About N-hexadecyl-1-(4-methoxyphenyl)methanimine

N-hexadecyl-1-(4-methoxyphenyl)methanimine (PubChem CID 102417152) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is N-hexadecyl-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-hexadecyl-1-(4-methoxyphenyl)methanimine
PubChem CID102417152
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC NameN-hexadecyl-1-(4-methoxyphenyl)methanimine
SMILESCCCCCCCCCCCCCCCC/N=C/c1ccc(OC)cc1
InChIInChI=1S/C24H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25-22-23-17-19-24(26-2)20-18-23/h17-20,22H,3-16,21H2,1-2H3/b25-22+
InChIKeyKEDXHOSYCTWTEQ-YYDJUVGSSA-N
XLogP7.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 57.60
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

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 67729195
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-hexadecyl-1-(4-methoxyphenyl)methanimine (CID 102417152) is N-hexadecyl-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-hexadecyl-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-hexadecyl-1-(4-methoxyphenyl)methanimine is CCCCCCCCCCCCCCCC/N=C/c1ccc(OC)cc1.
What is the InChIKey of N-hexadecyl-1-(4-methoxyphenyl)methanimine?
The InChIKey is KEDXHOSYCTWTEQ-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25-22-23-17-19-24(26-2)20-18-23/h17-20,22H,3-16,21H2,1-2H3/b25-22+.
What are the key properties of N-hexadecyl-1-(4-methoxyphenyl)methanimine?
N-hexadecyl-1-(4-methoxyphenyl)methanimine has a molecular weight of 359.60 g/mol, XLogP of 7.60, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 102417152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).