3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane

C17H32N2O — CID 64877631

IUPAC3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1CC1CCCCO1
InChIInChI=1S/C17H32N2O/c1-16(2)13-18-17(9-5-3-6-10-17)14-19(16)12-15-8-4-7-11-20-15/h15,18H,3-14H2,1-2H3
InChIKeySXLCXUWPLMMIFW-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds2

About 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane

3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64877631) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64877631
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1CC1CCCCO1
InChIInChI=1S/C17H32N2O/c1-16(2)13-18-17(9-5-3-6-10-17)14-19(16)12-15-8-4-7-11-20-15/h15,18H,3-14H2,1-2H3
InChIKeySXLCXUWPLMMIFW-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Related Compounds

8,8-diethyl-9-(oxolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877784
4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64875697
4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 79558237
8-ethyl-9-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877745
2,5-dicyclopropyl-2,5-dimethyl-1-(oxan-2-ylmethyl)piperazine
CID 64861372
2,2-dimethyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
CID 64839838
8-methyl-6-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64844942
4-cyclohexyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 82937035
5,5-diethyl-2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170045
8,8-dimethyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64876622
4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878399
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane (CID 64877631) is 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane is CC1(C)CNC2(CCCCC2)CN1CC1CCCCO1.
What is the InChIKey of 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is SXLCXUWPLMMIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)13-18-17(9-5-3-6-10-17)14-19(16)12-15-8-4-7-11-20-15/h15,18H,3-14H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.46 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64877631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).