8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione

C26H37FN2O2 — CID 10502670

IUPAC8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
InChIInChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
InChIKeyBYVRVQNZFICZEB-OAQYLSRUSA-N
MW428.59 g/mol
LogP4.88
Rot. Bonds8

About 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10502670) has the molecular formula C26H37FN2O2 and a molecular weight of 428.59 g/mol. Its IUPAC name is 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10502670
Molecular FormulaC26H37FN2O2
Molecular Weight428.59 g/mol
Exact Mass428.28
IUPAC Name8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
InChIInChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1
InChIKeyBYVRVQNZFICZEB-OAQYLSRUSA-N
XLogP4.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.59
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10502670) is 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione is CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1.
What is the InChIKey of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is BYVRVQNZFICZEB-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H37FN2O2/c1-2-14-28(21-10-11-22-20(17-21)8-7-9-23(22)27)15-5-6-16-29-24(30)18-26(19-25(29)31)12-3-4-13-26/h7-9,21H,2-6,10-19H2,1H3/t21-/m1/s1.
What are the key properties of 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 428.59 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[(2R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10502670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).