7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane

C12H22N2O — CID 166077503

IUPAC7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane
SMILESCOC1CC(N2CCC3(CC2)CNC3)C1
InChIInChI=1S/C12H22N2O/c1-15-11-6-10(7-11)14-4-2-12(3-5-14)8-13-9-12/h10-11,13H,2-9H2,1H3
InChIKeyJTIKZONNIVYPKE-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

About 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane

7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 166077503) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane
PubChem CID166077503
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane
SMILESCOC1CC(N2CCC3(CC2)CNC3)C1
InChIInChI=1S/C12H22N2O/c1-15-11-6-10(7-11)14-4-2-12(3-5-14)8-13-9-12/h10-11,13H,2-9H2,1H3
InChIKeyJTIKZONNIVYPKE-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane (CID 166077503) is 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane is COC1CC(N2CCC3(CC2)CNC3)C1.
What is the InChIKey of 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is JTIKZONNIVYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-11-6-10(7-11)14-4-2-12(3-5-14)8-13-9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane?
7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxycyclobutyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 166077503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).