3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane

C12H23N3 — CID 169257836

IUPAC3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCN(C1CNC1)CC2
InChIInChI=1S/C12H23N3/c1-5-13-6-2-12(1)3-7-15(8-4-12)11-9-14-10-11/h11,13-14H,1-10H2
InChIKeyZUNWEWSQXXHWBJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.42
Rot. Bonds1

About 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane

3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 169257836) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID169257836
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCN(C1CNC1)CC2
InChIInChI=1S/C12H23N3/c1-5-13-6-2-12(1)3-7-15(8-4-12)11-9-14-10-11/h11,13-14H,1-10H2
InChIKeyZUNWEWSQXXHWBJ-UHFFFAOYSA-N
XLogP0.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
8-pyrrolidin-3-yl-8-azaspiro[4.5]decane
CID 63160445
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane
CID 130516058
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
CID 169161347
7-methyl-2-piperazin-1-yl-7-azaspiro[3.5]nonane
CID 142390652
methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
CID 158463391
9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641603
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
CID 134128350
2-(azetidin-3-yl)-2-azaspiro[3.5]nonane
CID 79678651
ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641602
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane (CID 169257836) is 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane is C1CC2(CCN1)CCN(C1CNC1)CC2.
What is the InChIKey of 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is ZUNWEWSQXXHWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-13-6-2-12(1)3-7-15(8-4-12)11-9-14-10-11/h11,13-14H,1-10H2.
What are the key properties of 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane?
3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 209.34 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 169257836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).