1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

C15H28N2O2 — CID 134907461

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1(C)CN(C(C)(C)CO)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C15H28N2O2/c1-13(2)10-17(14(3,4)11-18)15(12(19)16-13)8-6-5-7-9-15/h18H,5-11H2,1-4H3,(H,16,19)
InChIKeyDJWBUKGASHJZFN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.67
Rot. Bonds2

About 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134907461) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134907461
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1(C)CN(C(C)(C)CO)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C15H28N2O2/c1-13(2)10-17(14(3,4)11-18)15(12(19)16-13)8-6-5-7-9-15/h18H,5-11H2,1-4H3,(H,16,19)
InChIKeyDJWBUKGASHJZFN-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134907461) is 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is CC1(C)CN(C(C)(C)CO)C2(CCCCC2)C(=O)N1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is DJWBUKGASHJZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)10-17(14(3,4)11-18)15(12(19)16-13)8-6-5-7-9-15/h18H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 268.40 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134907461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).