3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C16H32N2O — CID 167291421

IUPAC3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1COC2(CCNC(CC(C)C)C2)CN1
InChIInChI=1S/C16H32N2O/c1-12(2)7-14-9-16(5-6-17-14)11-18-15(10-19-16)8-13(3)4/h12-15,17-18H,5-11H2,1-4H3
InChIKeyRHBUWPUROXAEPA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.56
Rot. Bonds4

About 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane

3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 167291421) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID167291421
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1COC2(CCNC(CC(C)C)C2)CN1
InChIInChI=1S/C16H32N2O/c1-12(2)7-14-9-16(5-6-17-14)11-18-15(10-19-16)8-13(3)4/h12-15,17-18H,5-11H2,1-4H3
InChIKeyRHBUWPUROXAEPA-UHFFFAOYSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 167291421) is 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)CC1COC2(CCNC(CC(C)C)C2)CN1.
What is the InChIKey of 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is RHBUWPUROXAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)7-14-9-16(5-6-17-14)11-18-15(10-19-16)8-13(3)4/h12-15,17-18H,5-11H2,1-4H3.
What are the key properties of 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 268.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 167291421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).