N-hexyldecan-1-imine

C16H33N — CID 174719675

IUPACN-hexyldecan-1-imine
SMILESCCCCCCCCC/C=N/CCCCCC
InChIInChI=1S/C16H33N/c1-3-5-7-9-10-11-12-14-16-17-15-13-8-6-4-2/h16H,3-15H2,1-2H3/b17-16+
InChIKeyVQCSHKAEEAECSU-WUKNDPDISA-N
MW239.45 g/mol
LogP5.78
Rot. Bonds13

About N-hexyldecan-1-imine

N-hexyldecan-1-imine (PubChem CID 174719675) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-hexyldecan-1-imine.

Molecular Properties

Compound NameN-hexyldecan-1-imine
PubChem CID174719675
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-hexyldecan-1-imine
SMILESCCCCCCCCC/C=N/CCCCCC
InChIInChI=1S/C16H33N/c1-3-5-7-9-10-11-12-14-16-17-15-13-8-6-4-2/h16H,3-15H2,1-2H3/b17-16+
InChIKeyVQCSHKAEEAECSU-WUKNDPDISA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.78
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-tetradecyltridecan-1-imine
CID 175147598
N,N'-didecylpentane-1,5-diimine
CID 118371796
2-(hexylideneamino)ethanol
CID 130130159
N-methyloctadecan-1-imine
CID 54409483
3-[dimethyl(prop-1-enyl)silyl]-N-hexylpropan-1-imine
CID 173072145
3-octadec-9-enylimino-N-propylpropan-1-amine
CID 173366405
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
N-(3-trimethoxysilylpropyl)hexan-1-imine
CID 87448623
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
CID 87397255

Frequently Asked Questions

What is the IUPAC name of N-hexyldecan-1-imine?
The IUPAC name of N-hexyldecan-1-imine (CID 174719675) is N-hexyldecan-1-imine.
What is the SMILES notation for N-hexyldecan-1-imine?
The canonical SMILES for N-hexyldecan-1-imine is CCCCCCCCC/C=N/CCCCCC.
What is the InChIKey of N-hexyldecan-1-imine?
The InChIKey is VQCSHKAEEAECSU-WUKNDPDISA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-7-9-10-11-12-14-16-17-15-13-8-6-4-2/h16H,3-15H2,1-2H3/b17-16+.
What are the key properties of N-hexyldecan-1-imine?
N-hexyldecan-1-imine has a molecular weight of 239.45 g/mol, XLogP of 5.78, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyldecan-1-imine is sourced from PubChem (CID 174719675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).