9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane

C18H22N2 — CID 64952940

IUPAC9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
SMILESc1ccc2cc(N3CCNC4(CCCC4)C3)ccc2c1
InChIInChI=1S/C18H22N2/c1-2-6-16-13-17(8-7-15(16)5-1)20-12-11-19-18(14-20)9-3-4-10-18/h1-2,5-8,13,19H,3-4,9-12,14H2
InChIKeyOLSAQCKILFRUEF-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.56
Rot. Bonds1

About 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane

9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64952940) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64952940
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
SMILESc1ccc2cc(N3CCNC4(CCCC4)C3)ccc2c1
InChIInChI=1S/C18H22N2/c1-2-6-16-13-17(8-7-15(16)5-1)20-12-11-19-18(14-20)9-3-4-10-18/h1-2,5-8,13,19H,3-4,9-12,14H2
InChIKeyOLSAQCKILFRUEF-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane (CID 64952940) is 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane is c1ccc2cc(N3CCNC4(CCCC4)C3)ccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is OLSAQCKILFRUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-6-16-13-17(8-7-15(16)5-1)20-12-11-19-18(14-20)9-3-4-10-18/h1-2,5-8,13,19H,3-4,9-12,14H2.
What are the key properties of 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane?
9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 266.39 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64952940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).