N-hexadecyl-1-phenylethanimine

C24H41N — CID 102417154

IUPACN-hexadecyl-1-phenylethanimine
SMILESCCCCCCCCCCCCCCCC/N=C(\C)c1ccccc1
InChIInChI=1S/C24H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-23(2)24-20-17-16-18-21-24/h16-18,20-21H,3-15,19,22H2,1-2H3/b25-23+
InChIKeyMISAUSZJMCRHII-WJTDDFOZSA-N
MW343.60 g/mol
LogP7.98
Rot. Bonds16

About N-hexadecyl-1-phenylethanimine

N-hexadecyl-1-phenylethanimine (PubChem CID 102417154) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is N-hexadecyl-1-phenylethanimine.

Molecular Properties

Compound NameN-hexadecyl-1-phenylethanimine
PubChem CID102417154
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC NameN-hexadecyl-1-phenylethanimine
SMILESCCCCCCCCCCCCCCCC/N=C(\C)c1ccccc1
InChIInChI=1S/C24H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-23(2)24-20-17-16-18-21-24/h16-18,20-21H,3-15,19,22H2,1-2H3/b25-23+
InChIKeyMISAUSZJMCRHII-WJTDDFOZSA-N
XLogP7.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-hexadecyl-1-phenylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-decyl-C-methylcarbonimidoyl)phenol
CID 4600028
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622
N-hexyl-2-phenylprop-1-en-1-imine
CID 87132233
lithium N-hexyl-1-phenylbutan-1-imine
CID 87755277
N-hexyl-3-phenylbut-2-en-1-imine
CID 66742213
tris(N-hexyl-1-phenyl-1-phenylmethanimine);iridium(3+)
CID 59072505
N-hexyl-4-isocyano-1-phenylbutan-1-imine
CID 135072244
hexane;1-phenylethanone
CID 160797049
N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
CID 3787959
2-dodecyl-1-phenylguanidine
CID 101076594
N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-1-phenylethanimine?
The IUPAC name of N-hexadecyl-1-phenylethanimine (CID 102417154) is N-hexadecyl-1-phenylethanimine.
What is the SMILES notation for N-hexadecyl-1-phenylethanimine?
The canonical SMILES for N-hexadecyl-1-phenylethanimine is CCCCCCCCCCCCCCCC/N=C(\C)c1ccccc1.
What is the InChIKey of N-hexadecyl-1-phenylethanimine?
The InChIKey is MISAUSZJMCRHII-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-23(2)24-20-17-16-18-21-24/h16-18,20-21H,3-15,19,22H2,1-2H3/b25-23+.
What are the key properties of N-hexadecyl-1-phenylethanimine?
N-hexadecyl-1-phenylethanimine has a molecular weight of 343.60 g/mol, XLogP of 7.98, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-1-phenylethanimine is sourced from PubChem (CID 102417154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).