9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride

C13H28Cl2N2O2 — CID 154897763

IUPAC9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride
SMILESCC(C)(N)CN1CCC2(CC1)OCCCC2O.Cl.Cl
InChIInChI=1S/C13H26N2O2.2ClH/c1-12(2,14)10-15-7-5-13(6-8-15)11(16)4-3-9-17-13;;/h11,16H,3-10,14H2,1-2H3;2*1H
InChIKeyWSHAIIDODRHFMX-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.57
Rot. Bonds2

About 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride

9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride (PubChem CID 154897763) has the molecular formula C13H28Cl2N2O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride.

Molecular Properties

Compound Name9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride
PubChem CID154897763
Molecular FormulaC13H28Cl2N2O2
Molecular Weight315.29 g/mol
Exact Mass314.15
IUPAC Name9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride
SMILESCC(C)(N)CN1CCC2(CC1)OCCCC2O.Cl.Cl
InChIInChI=1S/C13H26N2O2.2ClH/c1-12(2,14)10-15-7-5-13(6-8-15)11(16)4-3-9-17-13;;/h11,16H,3-10,14H2,1-2H3;2*1H
InChIKeyWSHAIIDODRHFMX-UHFFFAOYSA-N
XLogP1.57
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride?
The IUPAC name of 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride (CID 154897763) is 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride.
What is the SMILES notation for 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride?
The canonical SMILES for 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride is CC(C)(N)CN1CCC2(CC1)OCCCC2O.Cl.Cl.
What is the InChIKey of 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride?
The InChIKey is WSHAIIDODRHFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.2ClH/c1-12(2,14)10-15-7-5-13(6-8-15)11(16)4-3-9-17-13;;/h11,16H,3-10,14H2,1-2H3;2*1H.
What are the key properties of 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride?
9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride has a molecular weight of 315.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride is sourced from PubChem (CID 154897763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).