3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine

C14H26FNO — CID 114192924

IUPAC3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
SMILESNC1CCC(F)(CCCCC2CCOCC2)C1
InChIInChI=1S/C14H26FNO/c15-14(8-4-13(16)11-14)7-2-1-3-12-5-9-17-10-6-12/h12-13H,1-11,16H2
InChIKeyLEHPLIAMFCUNOO-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.19
Rot. Bonds5

About 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine

3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine (PubChem CID 114192924) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
PubChem CID114192924
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
SMILESNC1CCC(F)(CCCCC2CCOCC2)C1
InChIInChI=1S/C14H26FNO/c15-14(8-4-13(16)11-14)7-2-1-3-12-5-9-17-10-6-12/h12-13H,1-11,16H2
InChIKeyLEHPLIAMFCUNOO-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine (CID 114192924) is 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine is NC1CCC(F)(CCCCC2CCOCC2)C1.
What is the InChIKey of 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
The InChIKey is LEHPLIAMFCUNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c15-14(8-4-13(16)11-14)7-2-1-3-12-5-9-17-10-6-12/h12-13H,1-11,16H2.
What are the key properties of 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine is sourced from PubChem (CID 114192924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).