2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane

C20H28N2O — CID 68969342

IUPAC2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC1(C)C=Cc2cccc(CN3CCC4(CCNCC4)C3)c2O1
InChIInChI=1S/C20H28N2O/c1-19(2)7-6-16-4-3-5-17(18(16)23-19)14-22-13-10-20(15-22)8-11-21-12-9-20/h3-7,21H,8-15H2,1-2H3
InChIKeyGGFVSHJBUVDGLS-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.45
Rot. Bonds2

About 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 68969342) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID68969342
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCC1(C)C=Cc2cccc(CN3CCC4(CCNCC4)C3)c2O1
InChIInChI=1S/C20H28N2O/c1-19(2)7-6-16-4-3-5-17(18(16)23-19)14-22-13-10-20(15-22)8-11-21-12-9-20/h3-7,21H,8-15H2,1-2H3
InChIKeyGGFVSHJBUVDGLS-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 68969342) is 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane is CC1(C)C=Cc2cccc(CN3CCC4(CCNCC4)C3)c2O1.
What is the InChIKey of 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is GGFVSHJBUVDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-19(2)7-6-16-4-3-5-17(18(16)23-19)14-22-13-10-20(15-22)8-11-21-12-9-20/h3-7,21H,8-15H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 312.46 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylchromen-8-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 68969342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).