6-fluoro-N,N,9-trimethyldec-7-en-1-amine

C13H26FN — CID 167278138

IUPAC6-fluoro-N,N,9-trimethyldec-7-en-1-amine
SMILESCC(C)C=CC(F)CCCCCN(C)C
InChIInChI=1S/C13H26FN/c1-12(2)9-10-13(14)8-6-5-7-11-15(3)4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyMNDMWGADEUKYIB-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.66
Rot. Bonds8

About 6-fluoro-N,N,9-trimethyldec-7-en-1-amine

6-fluoro-N,N,9-trimethyldec-7-en-1-amine (PubChem CID 167278138) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 6-fluoro-N,N,9-trimethyldec-7-en-1-amine.

Molecular Properties

Compound Name6-fluoro-N,N,9-trimethyldec-7-en-1-amine
PubChem CID167278138
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name6-fluoro-N,N,9-trimethyldec-7-en-1-amine
SMILESCC(C)C=CC(F)CCCCCN(C)C
InChIInChI=1S/C13H26FN/c1-12(2)9-10-13(14)8-6-5-7-11-15(3)4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyMNDMWGADEUKYIB-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N,9-trimethyldec-7-en-1-amine?
The IUPAC name of 6-fluoro-N,N,9-trimethyldec-7-en-1-amine (CID 167278138) is 6-fluoro-N,N,9-trimethyldec-7-en-1-amine.
What is the SMILES notation for 6-fluoro-N,N,9-trimethyldec-7-en-1-amine?
The canonical SMILES for 6-fluoro-N,N,9-trimethyldec-7-en-1-amine is CC(C)C=CC(F)CCCCCN(C)C.
What is the InChIKey of 6-fluoro-N,N,9-trimethyldec-7-en-1-amine?
The InChIKey is MNDMWGADEUKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-12(2)9-10-13(14)8-6-5-7-11-15(3)4/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 6-fluoro-N,N,9-trimethyldec-7-en-1-amine?
6-fluoro-N,N,9-trimethyldec-7-en-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N,9-trimethyldec-7-en-1-amine is sourced from PubChem (CID 167278138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).