2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline

C14H20FN3 — CID 89272054

IUPAC2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1N1CCCC2(CCNC2)C1
InChIInChI=1S/C14H20FN3/c15-11-2-3-13(12(16)8-11)18-7-1-4-14(10-18)5-6-17-9-14/h2-3,8,17H,1,4-7,9-10,16H2
InChIKeyONYHJUPPLAZXFH-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.99
Rot. Bonds1

About 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline

2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline (PubChem CID 89272054) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline
PubChem CID89272054
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline
SMILESNc1cc(F)ccc1N1CCCC2(CCNC2)C1
InChIInChI=1S/C14H20FN3/c15-11-2-3-13(12(16)8-11)18-7-1-4-14(10-18)5-6-17-9-14/h2-3,8,17H,1,4-7,9-10,16H2
InChIKeyONYHJUPPLAZXFH-UHFFFAOYSA-N
XLogP1.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline?
The IUPAC name of 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline (CID 89272054) is 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline?
The canonical SMILES for 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline is Nc1cc(F)ccc1N1CCCC2(CCNC2)C1.
What is the InChIKey of 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline?
The InChIKey is ONYHJUPPLAZXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c15-11-2-3-13(12(16)8-11)18-7-1-4-14(10-18)5-6-17-9-14/h2-3,8,17H,1,4-7,9-10,16H2.
What are the key properties of 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline?
2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline has a molecular weight of 249.33 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline is sourced from PubChem (CID 89272054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).