11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

C16H28N2O2 — CID 64960100

IUPAC11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCC(C)CC(C)N1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)11-13(3)18-10-7-14(19)17-16(15(18)20)8-5-4-6-9-16/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyVZMXFLMXOACZJN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds3

About 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 64960100) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID64960100
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCC(C)CC(C)N1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)11-13(3)18-10-7-14(19)17-16(15(18)20)8-5-4-6-9-16/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyVZMXFLMXOACZJN-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

3,3-dimethyl-1-(4-methylpentan-2-yl)-1,4-diazepane-2,5-dione
CID 64960141
3,3-dimethyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971505
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 83147466
4-(1-cyclopropylpropan-2-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64971995
1-(1-methoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956609
11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883163
11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 116645589
11-[(2-methylcyclopentyl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 107420950
10-cyclobutyl-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64969522
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64972524

Frequently Asked Questions

What is the IUPAC name of 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 64960100) is 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is CC(C)CC(C)N1CCC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is VZMXFLMXOACZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)11-13(3)18-10-7-14(19)17-16(15(18)20)8-5-4-6-9-16/h12-13H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methylpentan-2-yl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 64960100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).