N-(5-phenylhexyl)hexan-1-imine

C18H29N — CID 91399547

IUPACN-(5-phenylhexyl)hexan-1-imine
SMILESCCCCC/C=N/CCCCC(C)c1ccccc1
InChIInChI=1S/C18H29N/c1-3-4-5-10-15-19-16-11-9-12-17(2)18-13-7-6-8-14-18/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3/b19-15+
InChIKeyQWJUOTWPRHUENS-XDJHFCHBSA-N
MW259.44 g/mol
LogP5.61
Rot. Bonds10

About N-(5-phenylhexyl)hexan-1-imine

N-(5-phenylhexyl)hexan-1-imine (PubChem CID 91399547) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(5-phenylhexyl)hexan-1-imine.

Molecular Properties

Compound NameN-(5-phenylhexyl)hexan-1-imine
PubChem CID91399547
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(5-phenylhexyl)hexan-1-imine
SMILESCCCCC/C=N/CCCCC(C)c1ccccc1
InChIInChI=1S/C18H29N/c1-3-4-5-10-15-19-16-11-9-12-17(2)18-13-7-6-8-14-18/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3/b19-15+
InChIKeyQWJUOTWPRHUENS-XDJHFCHBSA-N
XLogP5.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.61
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'}

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Related Compounds

N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
3-(1,5-diphenylpentoxy)-N-hexylpropan-1-imine
CID 57038793
N,N'-didecylpentane-1,5-diimine
CID 118371796
pentan-2-ylbenzene
CID 17627
N-benzyldecan-1-imine
CID 11276634
1-hexan-2-yl-4-phenylbenzene
CID 57161678
4-docosan-2-ylaniline
CID 22757336

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylhexyl)hexan-1-imine?
The IUPAC name of N-(5-phenylhexyl)hexan-1-imine (CID 91399547) is N-(5-phenylhexyl)hexan-1-imine.
What is the SMILES notation for N-(5-phenylhexyl)hexan-1-imine?
The canonical SMILES for N-(5-phenylhexyl)hexan-1-imine is CCCCC/C=N/CCCCC(C)c1ccccc1.
What is the InChIKey of N-(5-phenylhexyl)hexan-1-imine?
The InChIKey is QWJUOTWPRHUENS-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H29N/c1-3-4-5-10-15-19-16-11-9-12-17(2)18-13-7-6-8-14-18/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3/b19-15+.
What are the key properties of N-(5-phenylhexyl)hexan-1-imine?
N-(5-phenylhexyl)hexan-1-imine has a molecular weight of 259.44 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylhexyl)hexan-1-imine is sourced from PubChem (CID 91399547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).