5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine

C18H25F2N3O — CID 123814211

IUPAC5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine
SMILESNC1CC(N2CCC3(CCNC3)C2)COC1c1cc(F)ccc1F
InChIInChI=1S/C18H25F2N3O/c19-12-1-2-15(20)14(7-12)17-16(21)8-13(9-24-17)23-6-4-18(11-23)3-5-22-10-18/h1-2,7,13,16-17,22H,3-6,8-11,21H2
InChIKeyLLEUNDDNYJVCJP-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.81
Rot. Bonds2

About 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine

5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine (PubChem CID 123814211) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine.

Molecular Properties

Compound Name5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine
PubChem CID123814211
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine
SMILESNC1CC(N2CCC3(CCNC3)C2)COC1c1cc(F)ccc1F
InChIInChI=1S/C18H25F2N3O/c19-12-1-2-15(20)14(7-12)17-16(21)8-13(9-24-17)23-6-4-18(11-23)3-5-22-10-18/h1-2,7,13,16-17,22H,3-6,8-11,21H2
InChIKeyLLEUNDDNYJVCJP-UHFFFAOYSA-N
XLogP1.81
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine?
The IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine (CID 123814211) is 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine.
What is the SMILES notation for 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine?
The canonical SMILES for 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine is NC1CC(N2CCC3(CCNC3)C2)COC1c1cc(F)ccc1F.
What is the InChIKey of 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine?
The InChIKey is LLEUNDDNYJVCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c19-12-1-2-15(20)14(7-12)17-16(21)8-13(9-24-17)23-6-4-18(11-23)3-5-22-10-18/h1-2,7,13,16-17,22H,3-6,8-11,21H2.
What are the key properties of 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine?
5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine has a molecular weight of 337.41 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine is sourced from PubChem (CID 123814211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).