6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane

C19H24N2 — CID 64845220

IUPAC6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1ccc2c(CN3CCNCC34CCCC4)cccc2c1
InChIInChI=1S/C19H24N2/c1-2-9-18-16(6-1)7-5-8-17(18)14-21-13-12-20-15-19(21)10-3-4-11-19/h1-2,5-9,20H,3-4,10-15H2
InChIKeyZHTNBJKGXHSQGY-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.56
Rot. Bonds2

About 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane

6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64845220) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64845220
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1ccc2c(CN3CCNCC34CCCC4)cccc2c1
InChIInChI=1S/C19H24N2/c1-2-9-18-16(6-1)7-5-8-17(18)14-21-13-12-20-15-19(21)10-3-4-11-19/h1-2,5-9,20H,3-4,10-15H2
InChIKeyZHTNBJKGXHSQGY-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64845220) is 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane is c1ccc2c(CN3CCNCC34CCCC4)cccc2c1.
What is the InChIKey of 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ZHTNBJKGXHSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-9-18-16(6-1)7-5-8-17(18)14-21-13-12-20-15-19(21)10-3-4-11-19/h1-2,5-9,20H,3-4,10-15H2.
What are the key properties of 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane?
6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 280.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64845220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).