9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine

C15H28FN — CID 135225449

IUPAC9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine
SMILESCCN(F)CCCCCCCCC=C1CCC1
InChIInChI=1S/C15H28FN/c1-2-17(16)14-9-7-5-3-4-6-8-11-15-12-10-13-15/h11H,2-10,12-14H2,1H3
InChIKeyHJSSCWMGJLYDFX-UHFFFAOYSA-N
MW241.39 g/mol
LogP5.03
Rot. Bonds10

About 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine

9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine (PubChem CID 135225449) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine.

Molecular Properties

Compound Name9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine
PubChem CID135225449
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine
SMILESCCN(F)CCCCCCCCC=C1CCC1
InChIInChI=1S/C15H28FN/c1-2-17(16)14-9-7-5-3-4-6-8-11-15-12-10-13-15/h11H,2-10,12-14H2,1H3
InChIKeyHJSSCWMGJLYDFX-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.39
LogP ≤ 55.03
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
hexylidenecyclobutane
CID 86127710
6-cyclobutylidenehexan-1-ol
CID 14022228
heptadecylidenecyclopropane
CID 19760704
pentylidenecyclopentadecane
CID 151655236
7-cyclopentylideneheptan-1-ol
CID 126684282
(4Z)-4-octylideneazepane
CID 103983605
(4Z)-4-nonylideneazepane
CID 103983668
5-cyclodecylidenepentan-1-ol
CID 24801376
2-[6-cyclobutylidenehexyl-(6-cyclopropylidene-6-heptadecan-9-yloxyhexyl)amino]ethanol;9-methoxyheptadecane
CID 171522858
3-chloropropylidenecyclobutane
CID 156801876

Frequently Asked Questions

What is the IUPAC name of 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine?
The IUPAC name of 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine (CID 135225449) is 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine.
What is the SMILES notation for 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine?
The canonical SMILES for 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine is CCN(F)CCCCCCCCC=C1CCC1.
What is the InChIKey of 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine?
The InChIKey is HJSSCWMGJLYDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN/c1-2-17(16)14-9-7-5-3-4-6-8-11-15-12-10-13-15/h11H,2-10,12-14H2,1H3.
What are the key properties of 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine?
9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine has a molecular weight of 241.39 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine is sourced from PubChem (CID 135225449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).