5-butyl-N-fluoro-5-propylnonan-4-imine

C16H32FN — CID 89380375

IUPAC5-butyl-N-fluoro-5-propylnonan-4-imine
SMILESCCCCC(CCC)(CCCC)C(CCC)=NF
InChIInChI=1S/C16H32FN/c1-5-9-13-16(12-8-4,14-10-6-2)15(18-17)11-7-3/h5-14H2,1-4H3
InChIKeyCGVKZSPHPZMFNT-UHFFFAOYSA-N
MW257.44 g/mol
LogP6.28
Rot. Bonds11

About 5-butyl-N-fluoro-5-propylnonan-4-imine

5-butyl-N-fluoro-5-propylnonan-4-imine (PubChem CID 89380375) has the molecular formula C16H32FN and a molecular weight of 257.44 g/mol. Its IUPAC name is 5-butyl-N-fluoro-5-propylnonan-4-imine.

Molecular Properties

Compound Name5-butyl-N-fluoro-5-propylnonan-4-imine
PubChem CID89380375
Molecular FormulaC16H32FN
Molecular Weight257.44 g/mol
Exact Mass257.25
IUPAC Name5-butyl-N-fluoro-5-propylnonan-4-imine
SMILESCCCCC(CCC)(CCCC)C(CCC)=NF
InChIInChI=1S/C16H32FN/c1-5-9-13-16(12-8-4,14-10-6-2)15(18-17)11-7-3/h5-14H2,1-4H3
InChIKeyCGVKZSPHPZMFNT-UHFFFAOYSA-N
XLogP6.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.44
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-butyl-N-fluoro-5-propylnonan-4-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-fluoro-5-propylnonan-4-imine?
The IUPAC name of 5-butyl-N-fluoro-5-propylnonan-4-imine (CID 89380375) is 5-butyl-N-fluoro-5-propylnonan-4-imine.
What is the SMILES notation for 5-butyl-N-fluoro-5-propylnonan-4-imine?
The canonical SMILES for 5-butyl-N-fluoro-5-propylnonan-4-imine is CCCCC(CCC)(CCCC)C(CCC)=NF.
What is the InChIKey of 5-butyl-N-fluoro-5-propylnonan-4-imine?
The InChIKey is CGVKZSPHPZMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FN/c1-5-9-13-16(12-8-4,14-10-6-2)15(18-17)11-7-3/h5-14H2,1-4H3.
What are the key properties of 5-butyl-N-fluoro-5-propylnonan-4-imine?
5-butyl-N-fluoro-5-propylnonan-4-imine has a molecular weight of 257.44 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-fluoro-5-propylnonan-4-imine is sourced from PubChem (CID 89380375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).