3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane

C18H36N2O — CID 115943654

IUPAC3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CNC2(CCCCC2)CN1CCOC(C)(C)C
InChIInChI=1S/C18H36N2O/c1-6-17(5)14-19-18(10-8-7-9-11-18)15-20(17)12-13-21-16(2,3)4/h19H,6-15H2,1-5H3
InChIKeySDDQWPUOHLPPSN-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.58
Rot. Bonds4

About 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane

3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 115943654) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID115943654
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CNC2(CCCCC2)CN1CCOC(C)(C)C
InChIInChI=1S/C18H36N2O/c1-6-17(5)14-19-18(10-8-7-9-11-18)15-20(17)12-13-21-16(2,3)4/h19H,6-15H2,1-5H3
InChIKeySDDQWPUOHLPPSN-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane with MolForge

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Related Compounds

8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458732
8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 80697005
8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 116627516
4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878399
8-ethyl-9-(2-methoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 113383044
3,3-diethyl-4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64878022
3-ethyl-3-methyl-4-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055949
2,2,5,5-tetramethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592059
9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878549
9-cyclohexyl-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 82937208
4-cyclohexyl-3-ethyl-3-methyl-1,4-diazaspiro[5.5]undecane
CID 82937209
8-ethyl-9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877973

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane (CID 115943654) is 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane is CCC1(C)CNC2(CCCCC2)CN1CCOC(C)(C)C.
What is the InChIKey of 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is SDDQWPUOHLPPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-17(5)14-19-18(10-8-7-9-11-18)15-20(17)12-13-21-16(2,3)4/h19H,6-15H2,1-5H3.
What are the key properties of 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane?
3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 296.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 115943654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).