11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

C16H28N2O2 — CID 64883163

IUPAC11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCC(C)(C)CCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-15(2,3)10-12-18-11-7-13(19)17-16(14(18)20)8-5-4-6-9-16/h4-12H2,1-3H3,(H,17,19)
InChIKeyVOJFAJMRYFIVGR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds2

About 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 64883163) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID64883163
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCC(C)(C)CCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-15(2,3)10-12-18-11-7-13(19)17-16(14(18)20)8-5-4-6-9-16/h4-12H2,1-3H3,(H,17,19)
InChIKeyVOJFAJMRYFIVGR-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione with MolForge

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Related Compounds

11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 116645589
11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64972524
10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 83147466
11-(2-prop-2-ynylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 106432997
11-(2-pyrazol-1-ylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64882771
11-[(2-methylcyclopentyl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 107420950
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882632
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
10-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106409683
10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 80731590

Frequently Asked Questions

What is the IUPAC name of 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 64883163) is 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is CC(C)(C)CCN1CCC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is VOJFAJMRYFIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2,3)10-12-18-11-7-13(19)17-16(14(18)20)8-5-4-6-9-16/h4-12H2,1-3H3,(H,17,19).
What are the key properties of 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 64883163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).