1-butyl-2-hexylidenepyrrolidine;hydrofluoride

C14H28FN — CID 175874540

IUPAC1-butyl-2-hexylidenepyrrolidine;hydrofluoride
SMILESCCCCCC=C1CCCN1CCCC.F
InChIInChI=1S/C14H27N.FH/c1-3-5-7-8-10-14-11-9-13-15(14)12-6-4-2;/h10H,3-9,11-13H2,1-2H3;1H
InChIKeyZUWKXPNPAZJVIE-UHFFFAOYSA-N
MW229.38 g/mol
LogP4.50
Rot. Bonds7

About 1-butyl-2-hexylidenepyrrolidine;hydrofluoride

1-butyl-2-hexylidenepyrrolidine;hydrofluoride (PubChem CID 175874540) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is 1-butyl-2-hexylidenepyrrolidine;hydrofluoride.

Molecular Properties

Compound Name1-butyl-2-hexylidenepyrrolidine;hydrofluoride
PubChem CID175874540
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Name1-butyl-2-hexylidenepyrrolidine;hydrofluoride
SMILESCCCCCC=C1CCCN1CCCC.F
InChIInChI=1S/C14H27N.FH/c1-3-5-7-8-10-14-11-9-13-15(14)12-6-4-2;/h10H,3-9,11-13H2,1-2H3;1H
InChIKeyZUWKXPNPAZJVIE-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hexylidenepyrrolidine;hydrofluoride?
The IUPAC name of 1-butyl-2-hexylidenepyrrolidine;hydrofluoride (CID 175874540) is 1-butyl-2-hexylidenepyrrolidine;hydrofluoride.
What is the SMILES notation for 1-butyl-2-hexylidenepyrrolidine;hydrofluoride?
The canonical SMILES for 1-butyl-2-hexylidenepyrrolidine;hydrofluoride is CCCCCC=C1CCCN1CCCC.F.
What is the InChIKey of 1-butyl-2-hexylidenepyrrolidine;hydrofluoride?
The InChIKey is ZUWKXPNPAZJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.FH/c1-3-5-7-8-10-14-11-9-13-15(14)12-6-4-2;/h10H,3-9,11-13H2,1-2H3;1H.
What are the key properties of 1-butyl-2-hexylidenepyrrolidine;hydrofluoride?
1-butyl-2-hexylidenepyrrolidine;hydrofluoride has a molecular weight of 229.38 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hexylidenepyrrolidine;hydrofluoride is sourced from PubChem (CID 175874540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).