3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane

C14H26N2O — CID 166077405

IUPAC3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane
SMILESCOC1CC(N2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C14H26N2O/c1-17-13-10-12(11-13)16-8-4-14(5-9-16)2-6-15-7-3-14/h12-13,15H,2-11H2,1H3
InChIKeySEFVRGCESXWKEN-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds2

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

3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 166077405) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane
PubChem CID166077405
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane
SMILESCOC1CC(N2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C14H26N2O/c1-17-13-10-12(11-13)16-8-4-14(5-9-16)2-6-15-7-3-14/h12-13,15H,2-11H2,1H3
InChIKeySEFVRGCESXWKEN-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane (CID 166077405) is 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane is COC1CC(N2CCC3(CCNCC3)CC2)C1.
What is the InChIKey of 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is SEFVRGCESXWKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-17-13-10-12(11-13)16-8-4-14(5-9-16)2-6-15-7-3-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane?
3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 238.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclobutyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 166077405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).