N-octyloctan-1-imine

C16H33N — CID 11402193

IUPACN-octyloctan-1-imine
SMILESCCCCCCC/C=N/CCCCCCCC
InChIInChI=1S/C16H33N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3/b17-15+
InChIKeyUSNXXABLOAXZTD-BMRADRMJSA-N
MW239.45 g/mol
LogP5.78
Rot. Bonds13

About N-octyloctan-1-imine

N-octyloctan-1-imine (PubChem CID 11402193) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-octyloctan-1-imine.

Molecular Properties

Compound NameN-octyloctan-1-imine
PubChem CID11402193
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-octyloctan-1-imine
SMILESCCCCCCC/C=N/CCCCCCCC
InChIInChI=1S/C16H33N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3/b17-15+
InChIKeyUSNXXABLOAXZTD-BMRADRMJSA-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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Frequently Asked Questions

What is the IUPAC name of N-octyloctan-1-imine?
The IUPAC name of N-octyloctan-1-imine (CID 11402193) is N-octyloctan-1-imine.
What is the SMILES notation for N-octyloctan-1-imine?
The canonical SMILES for N-octyloctan-1-imine is CCCCCCC/C=N/CCCCCCCC.
What is the InChIKey of N-octyloctan-1-imine?
The InChIKey is USNXXABLOAXZTD-BMRADRMJSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3/b17-15+.
What are the key properties of N-octyloctan-1-imine?
N-octyloctan-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-octyloctan-1-imine is sourced from PubChem (CID 11402193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).