8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol

C19H23NO — CID 130377957

IUPAC8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol
SMILESOC1CC2(CCC(c3cccc4ccccc34)CC2)CN1
InChIInChI=1S/C19H23NO/c21-18-12-19(13-20-18)10-8-15(9-11-19)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,18,20-21H,8-13H2
InChIKeySSUXWDKSUBVTBN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.80
Rot. Bonds1

About 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol

8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol (PubChem CID 130377957) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol
PubChem CID130377957
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol
SMILESOC1CC2(CCC(c3cccc4ccccc34)CC2)CN1
InChIInChI=1S/C19H23NO/c21-18-12-19(13-20-18)10-8-15(9-11-19)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,18,20-21H,8-13H2
InChIKeySSUXWDKSUBVTBN-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol?
The IUPAC name of 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol (CID 130377957) is 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol is OC1CC2(CCC(c3cccc4ccccc34)CC2)CN1.
What is the InChIKey of 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol?
The InChIKey is SSUXWDKSUBVTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-18-12-19(13-20-18)10-8-15(9-11-19)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,18,20-21H,8-13H2.
What are the key properties of 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol?
8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol has a molecular weight of 281.40 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-1-yl-2-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 130377957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).