N,6,10-trimethyltridecan-2-imine

C16H33N — CID 90711437

IUPACN,6,10-trimethyltridecan-2-imine
SMILESCCCC(C)CCCC(C)CCC/C(C)=N/C
InChIInChI=1S/C16H33N/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-15H,6-13H2,1-5H3/b17-16+
InChIKeyXPQWNTAJQJXSKJ-WUKNDPDISA-N
MW239.45 g/mol
LogP5.49
Rot. Bonds10

About N,6,10-trimethyltridecan-2-imine

N,6,10-trimethyltridecan-2-imine (PubChem CID 90711437) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,6,10-trimethyltridecan-2-imine.

Molecular Properties

Compound NameN,6,10-trimethyltridecan-2-imine
PubChem CID90711437
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,6,10-trimethyltridecan-2-imine
SMILESCCCC(C)CCCC(C)CCC/C(C)=N/C
InChIInChI=1S/C16H33N/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-15H,6-13H2,1-5H3/b17-16+
InChIKeyXPQWNTAJQJXSKJ-WUKNDPDISA-N
XLogP5.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,6,10-trimethyltridecan-2-imine?
The IUPAC name of N,6,10-trimethyltridecan-2-imine (CID 90711437) is N,6,10-trimethyltridecan-2-imine.
What is the SMILES notation for N,6,10-trimethyltridecan-2-imine?
The canonical SMILES for N,6,10-trimethyltridecan-2-imine is CCCC(C)CCCC(C)CCC/C(C)=N/C.
What is the InChIKey of N,6,10-trimethyltridecan-2-imine?
The InChIKey is XPQWNTAJQJXSKJ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H33N/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17-5/h14-15H,6-13H2,1-5H3/b17-16+.
What are the key properties of N,6,10-trimethyltridecan-2-imine?
N,6,10-trimethyltridecan-2-imine has a molecular weight of 239.45 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,10-trimethyltridecan-2-imine is sourced from PubChem (CID 90711437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).