4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H28N2O2 — CID 103465383

IUPAC4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)(C)CN1C(=O)C2(CCCCC2)NC(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-5-15(3,4)11-18-12(2)13(19)17-16(14(18)20)9-7-6-8-10-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyQIZGUBNTNXBVSO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds3

About 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 103465383) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID103465383
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)(C)CN1C(=O)C2(CCCCC2)NC(=O)C1C
InChIInChI=1S/C16H28N2O2/c1-5-15(3,4)11-18-12(2)13(19)17-16(14(18)20)9-7-6-8-10-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyQIZGUBNTNXBVSO-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

9-(2-ethoxy-2-methylpropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114944504
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 83145037
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
3-methyl-4-[(2-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107420986
8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627679
4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106440744
3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107415661

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 103465383) is 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC(C)(C)CN1C(=O)C2(CCCCC2)NC(=O)C1C.
What is the InChIKey of 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is QIZGUBNTNXBVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-15(3,4)11-18-12(2)13(19)17-16(14(18)20)9-7-6-8-10-16/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-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 4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 103465383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).