3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane

C17H32N2O2 — CID 142351057

IUPAC3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
SMILESC1CC2(CCN1)CCNCC2.C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H18N2.C8H14O2/c1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-4-8(5-3-1)9-6-7-10-8/h10-11H,1-8H2;1-7H2
InChIKeySJCYRNCROJVTGJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.43
Rot. Bonds

About 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane

3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane (PubChem CID 142351057) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
PubChem CID142351057
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
SMILESC1CC2(CCN1)CCNCC2.C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H18N2.C8H14O2/c1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-4-8(5-3-1)9-6-7-10-8/h10-11H,1-8H2;1-7H2
InChIKeySJCYRNCROJVTGJ-UHFFFAOYSA-N
XLogP2.43
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
CID 127263574
11-azadispiro[4.2.58.25]pentadecane
CID 114820262
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
1,4-dioxadispiro[4.1.57.15]tridecane
CID 177024973
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
3-azaspiro[5.5]undecane;ethane;propane
CID 177188423
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193
4,9-dioxaspiro[2.6]nonane
CID 68651979
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 91594454
3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane
CID 82655471

Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane?
The IUPAC name of 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane (CID 142351057) is 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane is C1CC2(CCN1)CCNCC2.C1CCC2(CC1)OCCO2.
What is the InChIKey of 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane?
The InChIKey is SJCYRNCROJVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C8H14O2/c1-5-10-6-2-9(1)3-7-11-8-4-9;1-2-4-8(5-3-1)9-6-7-10-8/h10-11H,1-8H2;1-7H2.
What are the key properties of 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane?
3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane has a molecular weight of 296.45 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 142351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).