3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane

C16H30N2 — CID 176985677

IUPAC3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CCN(CC1CNC1)CC2
InChIInChI=1S/C16H30N2/c1-2-14-3-5-16(6-4-14)7-9-18(10-8-16)13-15-11-17-12-15/h14-15,17H,2-13H2,1H3
InChIKeyJCZSECMYYADEDD-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds3

About 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane

3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane (PubChem CID 176985677) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
PubChem CID176985677
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CCN(CC1CNC1)CC2
InChIInChI=1S/C16H30N2/c1-2-14-3-5-16(6-4-14)7-9-18(10-8-16)13-15-11-17-12-15/h14-15,17H,2-13H2,1H3
InChIKeyJCZSECMYYADEDD-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane (CID 176985677) is 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane is CCC1CCC2(CC1)CCN(CC1CNC1)CC2.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane?
The InChIKey is JCZSECMYYADEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-14-3-5-16(6-4-14)7-9-18(10-8-16)13-15-11-17-12-15/h14-15,17H,2-13H2,1H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane?
3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane has a molecular weight of 250.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 176985677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).